HCID86713846

tert-butyl ((3R,4R,7S)-7-(4-(2-bromothiazole-4-carboxamido)-1-methyl-1H-pyrazol-5-yl)-3-fluorooxepan-4-yl)carbamate

tert-butyl N-[(3R,4R,7S)-7-[4-[(2-bromo-1,3-thiazole-4-carbonyl)amino]-1-methylpyrazol-5-yl]-3-fluorooxepan-4-yl]carbamate

C19H25BrFN5O4S518.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1ncc(NC(=O)c2csc(Br)n2)c1[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)CO1
InChIKey: OGUQNODLWZDTPO-WDMOLILDSA-N
分子式: C19H25BrFN5O4S
平均分子量: 518.4 g/mol
单同位素质量: 517.07947

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 136 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 657

ALIASES

名称与别名

共 3 条

SCHEMBL15625101OGUQNODLWZDTPO-WDMOLILDSA-Ntert-butyl ((3R,4R,7S)-7-(4-(2-bromothiazole-4-carboxamido)-1-methyl-1H-pyrazol-5-yl)-3-fluorooxepan-4-yl)carbamate

REACTIONS