HCID71537344

(rac)-Ethanesulfonic acid [4-(7-chloro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide

N-[4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]ethanesulfonamide

C21H24ClN3O3S434 g/mol

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IDENTITY

结构与身份

标准SMILES: CCS(=O)(=O)NC1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21
InChIKey: GDFFFZVMFMXFKF-UHFFFAOYSA-N
分子式: C21H24ClN3O3S
平均分子量: 434 g/mol
单同位素质量: 433.1226905

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 87.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 29
形式电荷: 0
复杂度: 712

ALIASES

名称与别名

共 6 条

CHEMBL3948637SCHEMBL14803783GDFFFZVMFMXFKF-UHFFFAOYSA-NBDBM233832US9353081, 34(rac)-Ethanesulfonic acid [4-(7-chloro-1-methyl-2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-5,6,7,8-tetrahydro-isoquinolin-8-yl]-amide

REACTIONS

参与反应

1 条

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09353081B2

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