HCID9895457

1-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

3-[3-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]propyl]-3-[(4-fluorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one

C36H44FN5O4629.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(CN2CCC(CCCN3CCC(Nc4nc5ccccc5[nH]4)CC3)(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC
InChIKey: CDZDJJDGNAZRMV-UHFFFAOYSA-N
分子式: C36H44FN5O4
平均分子量: 629.8 g/mol
单同位素质量: 629.33773306

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 92 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 13
重原子: 46
形式电荷: 0
复杂度: 949

ALIASES

名称与别名

共 4 条

SCHEMBL6997688CDZDJJDGNAZRMV-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1H-benzimidazol-2-yl-amino)-piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine1-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

REACTIONS