HCID66698183

tert-butyl 2-(difluoromethyl)-1-[4-(4-{[2-(dimethylamino)ethyl]sulfonyl}-1-piperazinyl)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-4-methoxy-1H-benzimidazol-6-ylcarbamate

tert-butyl N-[2-(difluoromethyl)-3-[4-[4-[2-(dimethylamino)ethylsulfonyl]piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-7-methoxybenzimidazol-5-yl]carbamate

C29H42F2N10O6S696.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(NC(=O)OC(C)(C)C)cc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCN(S(=O)(=O)CCN(C)C)CC2)n1
InChIKey: KQKBMPMSGOXTGK-UHFFFAOYSA-N
分子式: C29H42F2N10O6S
平均分子量: 696.8 g/mol
单同位素质量: 696.2977566

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 169 Å²
氢键供体: 1
氢键受体: 16
可旋转键: 12
重原子: 48
形式电荷: 0
复杂度: 1,170

ALIASES

名称与别名

共 2 条

tert-butyl 2-(difluoromethyl)-1-[4-(4-{[2-(dimethylamino)ethyl]sulfonyl}-1-piperazinyl)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-4-methoxy-1H-benzimidazol-6-ylcarbamateSCHEMBL477649

REACTIONS