HCID58208685

Methyl 2',6'-diethoxy-4'-{[6-(1-methyl-1H-pyrazol-4-yl)-4-oxospiro[chroman-2,4'-piperidin]-1'-yl]carbonyl}biphenyl-4-carboxylate

methyl 4-[2,6-diethoxy-4-[6-(1-methylpyrazol-4-yl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]phenyl]benzoate

C36H37N3O7623.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cnn(C)c4)ccc2O3)cc(OCC)c1-c1ccc(C(=O)OC)cc1
InChIKey: LHICJVQNFWQZPO-UHFFFAOYSA-N
分子式: C36H37N3O7
平均分子量: 623.7 g/mol
单同位素质量: 623.26315053

COMPUTED

结构计算性质

已同步

XLogP: 5
极性表面积: 109 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 9
重原子: 46
形式电荷: 0
复杂度: 1,060

ALIASES

名称与别名

共 3 条

SCHEMBL1501677LHICJVQNFWQZPO-UHFFFAOYSA-NMethyl 2',6'-diethoxy-4'-{[6-(1-methyl-1H-pyrazol-4-yl)-4-oxospiro[chroman-2,4'-piperidin]-1'-yl]carbonyl}biphenyl-4-carboxylate

REACTIONS