HCID58980931

methyl 5-[7-isobutyl-5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylate

methyl 1-methyl-5-[5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxylate

C28H29N5O4499.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2cccc3ccccc23)n(C)c1
InChIKey: BTHDHRYPILJKNE-UHFFFAOYSA-N
分子式: C28H29N5O4
平均分子量: 499.6 g/mol
单同位素质量: 499.22195442

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 89.7 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 7
重原子: 37
形式电荷: 0
复杂度: 883

ALIASES

名称与别名

共 3 条

SCHEMBL5409648BTHDHRYPILJKNE-UHFFFAOYSA-Nmethyl 5-[7-isobutyl-5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylate

REACTIONS

参与反应

0 条

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