688062-06-8 ((N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide)

结构式：

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamideMOL文件

CAS号：

688062-06-8

英文名称：

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide

分子式：

C₃₄H₂₈N₄O₈S

分子量：

652.673127174377

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide(688062-06-8)名称与标识符

名称

英文别名：

N-(1,3-benzodioxol-5-ylmethyl)-4-{[6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}thio)-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide;N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide;N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl]benzamide;N-(benzo[d][;

标识符

InChIKey：

HTIPTIPPIGYWQB-UHFFFAOYSA-N

Inchi：

1S/C34H28N4O8S/c1-42-24-4-2-3-23(12-24)36-31(39)17-47-34-37-26-14-30-29(45-19-46-30)13-25(26)33(41)38(34)16-20-5-8-22(9-6-20)32(40)35-15-21-7-10-27-28(11-21)44-18-43-27/h2-14H,15-19H2,1H3,(H,35,40)(H,36,39)

SMILES：

S(CC(NC1C=CC=C(C=1)OC)=O)C1=NC2C=C3C(=CC=2C(N1CC1C=CC(C(NCC2=CC=C4C(=C2)OCO4)=O)=CC=1)=O)OCO3

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide(688062-06-8)物化性质

计算特性

氢键供体数量 : 2
氢键受体数量 : 10
可旋转化学键数量 : 10
重原子数量 : 47
复杂度 : 1170
疏水参数计算参考值（XlogP） : 4.6
拓扑分子极性表面积 : 162

80775-42-4(1-(5-溴噻吩-2-基)-3-氯丙烷-1-酮) 81462-07-9(4-phenyloxan-4-ol) 81562-78-9(八氢异喹啉-4alpha-醇) 81574-69-8(2-溴-4,6-二甲氧基苯甲醛) 81560-06-7(5-溴-3-甲基-2-(甲基硫代)嘧啶-4(3H)-酮) 81568-09-4(5-Chloro-2-dimethylaminopyrimidine) 816448-94-9(6-METHYLQUINOLINE-4-CARBOXYLIC ACID) 81540-86-5((8Z,11Z,14Z)-(8,9,11,12,14,15-2H6)-8,11,14-Icosatrienoic acid)

960化工网为您提供N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.688062-06-8,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:688062-06-8 国际站:688062-06-8

688062-06-8 ((N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide)

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide(688062-06-8)名称与标识符

名称

标识符

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide(688062-06-8)物化性质

计算特性

目录