HCID57990052

1,1-Dimethylethyl 4-[5-(2-amino-4-pyrimidinyl)-4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-4-methyl-1-piperidinecarboxylate

tert-butyl 4-[5-(2-aminopyrimidin-4-yl)-4-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1,3-thiazol-2-yl]-4-methylpiperidine-1-carboxylate

C30H31F3N6O4S2660.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(C)(c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)CC1
InChIKey: FMARKOSWRNCMPH-UHFFFAOYSA-N
分子式: C30H31F3N6O4S2
平均分子量: 660.7 g/mol
单同位素质量: 660.18003032

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 177 Å²
氢键供体: 2
氢键受体: 13
可旋转键: 8
重原子: 45
形式电荷: 0
复杂度: 1,130

ALIASES

名称与别名

共 3 条

SCHEMBL1127561FMARKOSWRNCMPH-UHFFFAOYSA-N1,1-dimethylethyl 4-[5-(2-amino-4-pyrimidinyl)-4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-4-methyl-1-piperidinecarboxylate

REACTIONS