HCID136063832

7-butyl-4-(4-methoxycyclohexyl)-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

3-[2-[4-[[7-butyl-4-(4-methoxycyclohexyl)-5-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

C31H34N6O4554.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OC)CC2)c2ncnn12
InChIKey: DWTPNLGNPSAZTF-UHFFFAOYSA-N
分子式: C31H34N6O4
平均分子量: 554.6 g/mol
单同位素质量: 554.26415359

COMPUTED

结构计算性质

已同步

XLogP: 5.6
极性表面积: 111 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 1,020

ALIASES

名称与别名

共 6 条

SCHEMBL1371226CHEMBL3648545DWTPNLGNPSAZTF-UHFFFAOYSA-NBDBM107355US8592431, 1487-butyl-4-(4-methoxycyclohexyl)-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

REACTIONS