uspto-grants-2008_12 · 10.6084/m9.figshare.5104873.v1 · US07462608B2
查看![{3-[5-(3,5-dichloro-phenylsulfanyl)-4-isopropyl-1-pyridin-4-ylmethyl-1H-imidazol-2-ylmethoxycarbonylamino]-propyl}-phosphonic acid diethyl ester 分子结构式](/api/mol/178476907/svg/360x280.svg)
HCID178476907
{3-[5-(3,5-dichloro-phenylsulfanyl)-4-isopropyl-1-pyridin-4-ylmethyl-1H-imidazol-2-ylmethoxycarbonylamino]-propyl}-phosphonic acid diethyl ester
[1-[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]-2-pyridin-4-ylethyl] N-(3-diethoxyphosphorylpropyl)carbamate
C27H35Cl2N4O5PS629.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOP(=O)(CCCNC(=O)OC(Cc1ccncc1)c1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)[nH]1)OCC
- InChIKey
- LXBNXGAGMDMYBY-UHFFFAOYSA-N
- 分子式
- C27H35Cl2N4O5PS
- 平均分子量
- 629.5 g/mol
- 单同位素质量
- 628.1442838
COMPUTED
结构计算性质
- XLogP
- 5.7
- 极性表面积
- 141 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 16
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 793
ALIASES
名称与别名
SCHEMBL5028563LXBNXGAGMDMYBY-UHFFFAOYSA-N{3-[5-(3,5-dichloro-phenylsulfanyl)-4-isopropyl-1-pyridin-4-ylmethyl-1H-imidazol-2-ylmethoxycarbonylamino]-propyl}-phosphonic acid diethyl ester
REACTIONS
参与反应