202189-76-2 (2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate,4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate)

CAS号:
202189-76-2
中文名称:
2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate
英文名称:
4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
分子式:
C23H29NO4S
分子量:
415.545665502548

2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate(202189-76-2)名称与标识符

名称

中文别名:
2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate;4-甲基苯磺酸4-(2-(4,4-二甲基-4,5-二氢恶唑-2-基)丙-2-基)苯乙基酯;4-[1-(4,5-二氢-4,4-二甲基-2-恶唑基)-1-甲基乙基]苯乙醇对甲苯磺酸酯;
英文别名:
2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate;2-{4-[2-(<wbr>;benzeneet<wbr>;LogP;2-{4-[2-(<wbr>; benzeneet<wbr>; LogP;Bilastine ITS-1;4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate;2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl]phenyl]ethyl 4-methylbenzenesulfonate;AK607632;MFCD11046409;DS-19752;4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl4-methylbenzenesulfonate;202189-76-2;D83844;2-{4-[2-(4,4-DIMETHYL-5H-1,3-OXAZOL-2-YL)PROPAN-2-YL]PHENYL}ETHYL 4-METHYLBENZENESULFONATE;BCP28170;4-[2-(4,5-dihydro-4,4-dimethyloxazol-2-yl)propan-2;CS-0160873;Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate);AKOS030524191;DB-192349;2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate;DTXSID601111153;2-{4-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]phenyl}ethyl 4-methylbenzene-1-sulfonate;2-(4-(1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl)phenyl)ethyl 4-methylbenzenesulfonate;

标识符

MDL:
MFCD11046409
InChIKey:
BGUOPDZOVDIWLE-UHFFFAOYSA-N
Inchi:
1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3
SMILES:
S(C1C=CC(C)=CC=1)(=O)(=O)OCCC1C=CC(=CC=1)C(C)(C)C1=NC(C)(C)CO1

2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate(202189-76-2)物化性质

实验特性

  • PSA : 64.96
  • 折射率 : 1.558
  • 沸点 : 545.1°C at 760 mmHg
  • 熔点 : NA
  • 蒸气压 : 0.0±1.4 mmHg at 25°C
  • 闪点 : 283.5°C
  • 密度 : 1.14

计算特性

  • 精确分子量 : 415.18187
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 7
  • 同位素质量 : 415.182
  • 重原子数量 : 29
  • 复杂度 : 676
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.5
  • 拓扑分子极性表面积 : 73.3

2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate(202189-76-2)安全信息

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2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate(202189-76-2)参考资料

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