HCID68501271

benzyl 3-(7-bromo-1-cyanomethyl-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

benzyl 3-[[7-bromo-1-(cyanomethyl)-3-methylindol-6-yl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

C42H44BrN3O6766.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)cn(CC#N)c3c2Br)cc1
InChIKey: GDWFIAQJGRLHJP-UHFFFAOYSA-N
分子式: C42H44BrN3O6
平均分子量: 766.7 g/mol
单同位素质量: 765.24135

COMPUTED

结构计算性质

已同步

XLogP: 7.6
极性表面积: 95.2 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 16
重原子: 52
形式电荷: 0
复杂度: 1,120

ALIASES

名称与别名

共 3 条

SCHEMBL3071935GDWFIAQJGRLHJP-UHFFFAOYSA-Nbenzyl 3-(7-bromo-1-cyanomethyl-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

REACTIONS