HRID43547
uspto-grants-2013_09
作为产物
uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536197B2
查看HCID86648564
Ethyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(2-methylpropyl)amino]piperidin-1-yl)-1,3-benzothiazole-7-carboxylate
ethyl 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(2-methylpropylamino)piperidin-1-yl]-1,3-benzothiazole-7-carboxylate
C25H33ClN6O3S533.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)c1cccc2nc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](NCC(C)C)C3)sc12
- InChIKey
- HJRPHGVMSLUVNT-PKOBYXMFSA-N
- 分子式
- C25H33ClN6O3S
- 平均分子量
- 533.1 g/mol
- 单同位素质量
- 532.2023378
COMPUTED
结构计算性质
- XLogP
- 5.5
- 极性表面积
- 140 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 10
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 763
ALIASES
名称与别名
HJRPHGVMSLUVNT-PKOBYXMFSA-NEthyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(2-methylpropyl)amino]piperidin-1-yl)-1,3-benzothiazole-7-carboxylate
REACTIONS
参与反应
HRID1425020
uspto-grants-2015_01
作为产物
uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08927588B2
查看