HCID22258932

5-[1-(Tert-butoxycarbonyl)-3-piperidinyl]-7-{2-(cyclopropylmethoxy)-6-[(4-methoxybenzyl)oxy]phenyl}-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid

7-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C37H41N3O8655.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(COc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3cc(C(=O)O)c(=O)[nH]c3n2)cc1
InChIKey: VSUMEJCKDSVRFV-UHFFFAOYSA-N
分子式: C37H41N3O8
平均分子量: 655.7 g/mol
单同位素质量: 655.28936527

COMPUTED

结构计算性质

已同步

XLogP: 6.1
极性表面积: 137 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 12
重原子: 48
形式电荷: 0
复杂度: 1,180

ALIASES

名称与别名

共 3 条

SCHEMBL4947771VSUMEJCKDSVRFV-UHFFFAOYSA-N5-[1-(tert-butoxycarbonyl)-3-piperidinyl]-7-{2-(cyclopropylmethoxy)-6-[(4-methoxybenzyl)oxy]phenyl}-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid

REACTIONS