HCID58204744

(5-(9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1-isopropyl-1H-1,2,4-triazol-3-yl)methanol

[5-(9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol

C17H18BrN5O2404.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)n1nc(CO)nc1-c1cn2c(n1)-c1ccc(Br)cc1OCC2
InChIKey: UXWLKEQTUAEMJJ-UHFFFAOYSA-N
分子式: C17H18BrN5O2
平均分子量: 404.3 g/mol
单同位素质量: 403.06439

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 78 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 25
形式电荷: 0
复杂度: 470

ALIASES

名称与别名

共 4 条

SCHEMBL1485328UXWLKEQTUAEMJJ-UHFFFAOYSA-N(5-(9-bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1-isopropyl-1H-1,2,4-triazol-3-yl)methanol[5-(8-Bromo-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-2-yl)-1-isopropyl-1H-[1,2,4]triazol-3-yl]-methanol

REACTIONS