HCID59263098

(2,4-Bis-benzyloxy-5-isopropenyl-phenyl)-[5-(2-dimethylamino-ethoxy)-7-methyl-1,3-dihydro-isoindol-2-yl]-methanone

[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylphenyl]-[6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-yl]methanone

C37H40N2O4576.7 g/mol

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IDENTITY

结构与身份

标准SMILES: C=C(C)c1cc(C(=O)N2Cc3cc(OCCN(C)C)cc(C)c3C2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIKey: NJGOQPNQAPVOLE-UHFFFAOYSA-N
分子式: C37H40N2O4
平均分子量: 576.7 g/mol
单同位素质量: 576.29880776

COMPUTED

结构计算性质

已同步

XLogP: 7.2
极性表面积: 51.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 12
重原子: 43
形式电荷: 0
复杂度: 882

ALIASES

名称与别名

共 3 条

SCHEMBL383306NJGOQPNQAPVOLE-UHFFFAOYSA-N(2,4-Bis-benzyloxy-5-isopropenyl-phenyl)-[5-(2-dimethylamino-ethoxy)-7-methyl-1,3-dihydro-isoindol-2-yl]-methanone

REACTIONS