uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08049013B2
查看![2-(4-Chloro-phenyl)-5-[4-(1-cyclopropyl-azetidin-3-yloxy)-3-methoxy-phenyl]-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one, hydrochloride salt 分子结构式](/api/mol/131729258/svg/360x280.svg)
HCID131729258
2-(4-Chloro-phenyl)-5-[4-(1-cyclopropyl-azetidin-3-yloxy)-3-methoxy-phenyl]-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one, hydrochloride salt
2-(4-chlorophenyl)-5-[4-(1-cyclopropylazetidin-3-yl)oxy-3-methoxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one;hydrochloride
C25H25Cl2N3O3S518.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(N2CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OC1CN(C2CC2)C1.Cl
- InChIKey
- QCQNZLKURLKQLQ-UHFFFAOYSA-N
- 分子式
- C25H25Cl2N3O3S
- 平均分子量
- 518.5 g/mol
- 单同位素质量
- 517.0993682
COMPUTED
结构计算性质
- 极性表面积
- 83.1 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 713
ALIASES
名称与别名
QCQNZLKURLKQLQ-UHFFFAOYSA-N2-(4-Chloro-phenyl)-5-[4-(1-cyclopropyl-azetidin-3-yloxy)-3-methoxy-phenyl]-6,7-dihydro-5H-thiazolo[5,4-c]pyridin-4-one, hydrochloride salt
REACTIONS
参与反应