uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05705505
查看![3-[1-(3,4-Dichlorophenyl)-3-(4-(2-methylsulfinyl-3-pyridyl)piperidino)propyl]-6-methoxy-2-methyl-2,3-dihydroisoindol-1-one hydrochloride 分子结构式](/api/mol/21839928/svg/360x280.svg)
HCID21839928
3-[1-(3,4-Dichlorophenyl)-3-(4-(2-methylsulfinyl-3-pyridyl)piperidino)propyl]-6-methoxy-2-methyl-2,3-dihydroisoindol-1-one hydrochloride
3-[1-(3,4-dichlorophenyl)-3-[4-(2-methylsulfinyl-3-pyridinyl)piperidin-1-yl]propyl]-6-methoxy-2-methyl-3H-isoindol-1-one;hydrochloride
C30H34Cl3N3O3S623 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(c1)C(=O)N(C)C2C(CCN1CCC(c2cccnc2S(C)=O)CC1)c1ccc(Cl)c(Cl)c1.Cl
- InChIKey
- OQTURQAZPVPZTR-UHFFFAOYSA-N
- 分子式
- C30H34Cl3N3O3S
- 平均分子量
- 623 g/mol
- 单同位素质量
- 621.138646
COMPUTED
结构计算性质
- 极性表面积
- 82 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 8
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 859
ALIASES
名称与别名
SCHEMBL7503029OQTURQAZPVPZTR-UHFFFAOYSA-N3-[1-(3,4-Dichlorophenyl)-3-(4-(2-methylsulfinyl-3-pyridyl)piperidino)propyl]-6-methoxy-2-methyl-2,3-dihydroisoindol-1-one hydrochloride3-[l-(3,4-Dichlorophenyl)-3-(4-(2-methylsulfinyl-3-pyridyl)piperidino)propyl]-6-methoxy-2-methyl-2,3-dihydroisoindol-1-one hydrochloride
REACTIONS
