HCID86586967

(2-{3-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-morpholin-4-yl-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl ester

tert-butyl N-[2-[[3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-oxopropanoyl]amino]-5-morpholin-4-yl-4-(trifluoromethyl)phenyl]carbamate

C29H31F3N4O6588.6 g/mol

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IDENTITY

结构与身份

标准 SMILES: Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(N4CCOCC4)cc3NC(=O)OC(C)(C)C)c2)on1
InChIKey: QHXRBJCCBLLITQ-UHFFFAOYSA-N
分子式: C29H31F3N4O6
平均分子量: 588.6 g/mol
单同位素质量: 588.21956921

COMPUTED

结构计算性质

已同步

XLogP: 4.9
极性表面积: 123 Å²
氢键供体: 2
氢键受体: 11
可旋转键: 9
重原子: 42
形式电荷: 0
复杂度: 955

ALIASES

名称与别名

共 2 条

(2-{3-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-morpholin-4-yl-4-trifluoromethyl-phenyl)-carbamic acid tert.-butyl esterSCHEMBL6433297

REACTIONS