HCID58204394

2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid

2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanoic acid

C24H27N7O3461.5 g/mol

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IDENTITY

结构与身份

标准 SMILES: Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(=O)O)c4)cc2OCC3)n(C(C)C)n1
InChIKey: DFLUNRVFVAAWSG-UHFFFAOYSA-N
分子式: C24H27N7O3
平均分子量: 461.5 g/mol
单同位素质量: 461.21753775

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 113 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 5
重原子: 34
形式电荷: 0
复杂度: 752

ALIASES

名称与别名

共 17 条

1282513-03-42-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-alpha,alpha-dimethyl-MFCD281678932-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanoic acid1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-|A,|A-dimethyl-SCHEMBL11967434DFLUNRVFVAAWSG-UHFFFAOYSA-NC24H27N7O3CS-M2568AKOS030235454CS-14773F12864F7897701H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-|_,|_-dimethyl-2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoicacid2-[4-[2-(2-isopropyl-5-methyl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]-2-methyl-propanoic acid

REACTIONS