uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536197B2
查看![cis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2-fluoroethoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylic acid 分子结构式](/api/mol/86648643/svg/360x280.svg)
HCID86648643
cis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2-fluoroethoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylic acid
2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(2-fluoroethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
C17H21ClFN5O4S445.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCc1[nH]c(C(=O)N[C@H]2CCN(c3ncc(C(=O)O)s3)C[C@H]2OCCF)nc1Cl
- InChIKey
- IDXNBCPKCBLXMB-WDEREUQCSA-N
- 分子式
- C17H21ClFN5O4S
- 平均分子量
- 445.9 g/mol
- 单同位素质量
- 445.0986812
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 149 Ų
- 氢键供体
- 3
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 29
- 形式电荷
- 0
- 复杂度
- 594
ALIASES
名称与别名
IDXNBCPKCBLXMB-WDEREUQCSA-Ncis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2-fluoroethoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylic acid
REACTIONS
参与反应
uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08927588B2
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