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206350-10-9 ((Albaconazole)

结构式：

Albaconazole结构式图片|206350-10-9结构式图片

AlbaconazoleMOL文件

CAS号：

206350-10-9

英文名称：

Albaconazole

分子式：

C₂₀H₁₆ClF₂N₅O₂

分子量：

431.823149681091

Albaconazole(206350-10-9)名称与标识符

名称

英文别名：

ALBACONAZOLE;YDW24Y8IAB;Albaconazol;7-Chloro-3-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)quinazolin-4(3H)-one;4(3H)-Quinazolinone,7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-;4(3H)-Quinazolinone, 7-chloro-3-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-;UR 9825;Albaconazole [USAN:INN];Albaconazol [INN-Spanish];4(3H)-Quinazolinone,;

标识符

InChIKey：

UHIXWHUVLCAJQL-MPBGBICISA-N

Inchi：

1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1

SMILES：

ClC1C=CC2=C(C=1)N=CN(C2=O)[C@H](C)[C@@](C1C=CC(=CC=1F)F)(CN1C=NC=N1)O

Albaconazole(206350-10-9)物化性质

计算特性

氢键供体数量 : 1
氢键受体数量 : 7
可旋转化学键数量 : 5
重原子数量 : 30
复杂度 : 673
拓扑分子极性表面积 : 83.6

Albaconazole(206350-10-9)相关文献

1. A comprehensive overview of the medicinal chemistry of antifungal drugs: perspectives and promise
Kaitlind C. Howard,Emily K. Dennis,David S. Watt,Sylvie Garneau-Tsodikova Chem. Soc. Rev. 2020 49 2426
2. 1,2,3-Triazole–quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent
Mir Mohammad Masood,Mohammad Irfan,Parvez Khan,Mohamed F. Alajmi,Afzal Hussain,Jered Garrison,Md. Tabish Rehman,Mohammad Abid RSC Adv. 2018 8 39611
3. Asymmetric catalysis in direct nitromethane-free Henry reactions
Lin Dong,Fen-Er Chen RSC Adv. 2020 10 2313
4. Ultra high-resolution HSQC: application to the efficient and accurate measurement of heteronuclear coupling constants
Núria Marcó,André Fredi,Teodor Parella Chem. Commun. 2015 51 3262
5. A microwave-assisted copper-mediated tandem approach for fused quinazoline derivatives
Satyaveni Malasala,Anusha Polomoni,Sai Manohar Chelli,Swayamsidda Kar,Y. V. Madhavi,Srinivas Nanduri Org. Biomol. Chem. 2021 19 1854
6. Benzodiazines: recent synthetic advances
Thomas Mathew,Attila á. Papp,Farzaneh Paknia,Santos Fustero,G. K. Surya Prakash Chem. Soc. Rev. 2017 46 3060
7. Discovery of highly potent antifungal triazoles by structure-based lead fusion
Wenya Wang,Shengzheng Wang,Guoqiang Dong,Yang Liu,Zizhao Guo,Zhenyuan Miao,Jianzhong Yao,Wannian Zhang,Chunquan Sheng Med. Chem. Commun. 2011 2 1066
8. Design and synthesis of new fluconazole analogues
Vandana S. Pore,Sandip G. Agalave,Pratiksha Singh,Praveen K. Shukla,Vikash Kumar,Mohammad I. Siddiqi Org. Biomol. Chem. 2015 13 6551
9. Synthesis and antifungal activity of 1,5-disubstituted-1,2,3-triazole containing fluconazole analogues
Vandana S. Pore,Manisha A. Jagtap,Sandip G. Agalave,Atindra K. Pandey,Mohammad I. Siddiqi,Vikash Kumar,Praveen K. Shukla Med. Chem. Commun. 2012 3 484
10. Dual-purpose zinc and silicon complexes of 1,2,3-triazole group substituted phthalocyanine photosensitizers: synthesis and evaluation of photophysical, singlet oxygen generation, electrochemical and photovoltaic properties
Emre Güzel RSC Adv. 2019 9 10854

目录

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