uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06340678B1
查看![(Z)-2-(4-{[4,4-difluoro-1-(4-methyl-2-phenylthiazole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1-benzoazepin-5-ylidene]acetyl}piperazin-1-yl)ethanol monohydrochloride 分子结构式](/api/mol/70160897/svg/360x280.svg)
HCID70160897
(Z)-2-(4-{[4,4-difluoro-1-(4-methyl-2-phenylthiazole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1-benzoazepin-5-ylidene]acetyl}piperazin-1-yl)ethanol monohydrochloride
(2Z)-2-[4,4-difluoro-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2,3-dihydro-1-benzazepin-5-ylidene]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;hydrochloride
C29H31ClF2N4O3S589.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(F)(F)/C(=C\C(=O)N2CCN(CCO)CC2)c2ccccc21.Cl
- InChIKey
- LRDLWMGMKGOHRD-PDEWKSAASA-N
- 分子式
- C29H31ClF2N4O3S
- 平均分子量
- 589.1 g/mol
- 单同位素质量
- 588.1773461
COMPUTED
结构计算性质
- 极性表面积
- 105 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 907
ALIASES
名称与别名
(Z)-2-(4-{[4,4-difluoro-1-(4-methyl-2-phenylthiazole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1-benzoazepin-5-ylidene]acetyl}piperazin-1-yl)ethanol monohydrochlorideSCHEMBL7680106
REACTIONS
参与反应