HCID66666436

((S)-5-{5-[(5-Cyano-pyridine-2-carbonyl)-amino]-2-fluoro-phenyl}-5-difluoromethyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-yl)-carbamic acid tert-butyl ester

tert-butyl N-[(5S)-5-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-3-yl]carbamate

C24H24F3N5O4503.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NC1=N[C@@](c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)(C(F)F)CCOC1
InChIKey: VBTUEPITCSWGCD-DEOSSOPVSA-N
分子式: C24H24F3N5O4
平均分子量: 503.5 g/mol
单同位素质量: 503.17803875

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 126 Å²
氢键供体: 2
氢键受体: 10
可旋转键: 7
重原子: 36
形式电荷: 0
复杂度: 887

ALIASES

名称与别名

共 2 条

((S)-5-{5-[(5-Cyano-pyridine-2-carbonyl)-amino]-2-fluoro-phenyl}-5-difluoromethyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-yl)-carbamic acid tert-butyl esterSCHEMBL363608

REACTIONS