HCID71295437

7-[4-(4-benzo[b]thiophen-4-ylpiperazin-1-yl)butoxy]-1-hydroxymethyl-3,4-dihydro-1H-quinolin-2-one

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1-(hydroxymethyl)-3,4-dihydroquinolin-2-one

C26H31N3O3S465.6 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C1CCc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2N1CO
InChIKey: NFLHJNKEVCMKFQ-UHFFFAOYSA-N
分子式: C26H31N3O3S
平均分子量: 465.6 g/mol
单同位素质量: 465.20861303

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 84.5 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 8
重原子: 33
形式电荷: 0
复杂度: 644

ALIASES

名称与别名

共 4 条

SCHEMBL14764681NFLHJNKEVCMKFQ-UHFFFAOYSA-N7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)-butoxy]-1-hydroxymethyl-3,4-dihydro-1H-quinolin-2-one7-[4-(4-benzo[b]thiophen-4-ylpiperazin-1-yl)butoxy]-1-hydroxymethyl-3,4-dihydro-1H-quinolin-2-one

REACTIONS