uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106215B2
查看![6-Methyl-imidazo[2,1-b]thiazole-5-carboxylic acid-(1S,2S,5R)-[3-(4'-fluoro-biphenyl-2-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide 分子结构式](/api/mol/25154657/svg/360x280.svg)
HCID25154657
6-Methyl-imidazo[2,1-b]thiazole-5-carboxylic acid-(1S,2S,5R)-[3-(4'-fluoro-biphenyl-2-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide
N-[[(3S,3aS,6aR)-2-[2-(4-fluorophenyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
C28H27FN4O2S502.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nc2sccn2c1C(=O)NC[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccccc1-c1ccc(F)cc1
- InChIKey
- QGHOYNUFDNFPGJ-NGYIFUPDSA-N
- 分子式
- C28H27FN4O2S
- 平均分子量
- 502.6 g/mol
- 单同位素质量
- 502.18387545
COMPUTED
结构计算性质
- XLogP
- 6.1
- 极性表面积
- 95 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 823
ALIASES
名称与别名
SCHEMBL496347QGHOYNUFDNFPGJ-NGYIFUPDSA-N6-Methyl-imidazo[2,1-b]thiazole-5-carboxylic acid-(1S,2S,5R)-[3-(4'-fluoro-biphenyl-2-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide
REACTIONS
参与反应