HCID59025462

tert-butyl [(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-9-yl]carbamate

tert-butyl N-[(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-9-yl]carbamate

C21H29F2N3O2393.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCC1CN=C2[C@H](NC(=O)OC(C)(C)C)CC[C@@H](c3cccc(F)c3F)CN21
InChIKey: FFVVMCXLHQBYSF-SNVMCYLTSA-N
分子式: C21H29F2N3O2
平均分子量: 393.5 g/mol
单同位素质量: 393.2227835

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 53.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 593

ALIASES

名称与别名

共 3 条

SCHEMBL12658034FFVVMCXLHQBYSF-SNVMCYLTSA-Ntert-butyl [(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-9-yl]carbamate

REACTIONS