HCID17874072

(+/-)-Pent-4-enoic acid 2-(3-diisopropylamino-1-phenylpropyl)-4-(pent-4-enoyloxymethyl)phenyl ester

[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-pent-4-enoyloxyphenyl]methyl pent-4-enoate

C32H43NO4505.7 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCCC(=O)OCc1ccc(OC(=O)CCC=C)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIKey: DBAAHIYZQIIMAH-UHFFFAOYSA-N
分子式: C32H43NO4
平均分子量: 505.7 g/mol
单同位素质量: 505.31920885

COMPUTED

结构计算性质

已同步

XLogP: 7.1
极性表面积: 55.8 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 18
重原子: 37
形式电荷: 0
复杂度: 689

ALIASES

名称与别名

共 5 条

SCHEMBL2166654DBAAHIYZQIIMAH-UHFFFAOYSA-N(+/-)-pent-4-enoic acid 2-(3-diisopropyl amino-1-phenylpropyl)-4-(pent-4-enoyloxymethyl)-phenyl ester(+/-)-pent-4-enoic acid 2-(3-diisopropylamino-1-phenylpropyl)-4-(pent-4-enoyloxymethyl)-phenyl ester(+/-)-pent-4-enoic acid 2-(3-diisopropylamino-1-phenylpropyl)-4-(pent-4-enoyloxymethyl)phenyl ester

REACTIONS