HCID86586835

(RS)-[5-Dimethylamino-2-(3-oxo-3-{3-[3-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-5-yl]-phenyl}-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert.-butyl ester

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

C32H37F3N4O7646.7 g/mol

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IDENTITY

结构与身份

标准 SMILES: CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cc(COC4CCCCO4)no3)c2)cc1C(F)(F)F
InChIKey: RTHALQQUESYJKD-UHFFFAOYSA-N
分子式: C32H37F3N4O7
平均分子量: 646.7 g/mol
单同位素质量: 646.26143402

COMPUTED

结构计算性质

已同步

XLogP: 5.4
极性表面积: 132 Å²
氢键供体: 2
氢键受体: 12
可旋转键: 12
重原子: 46
形式电荷: 0
复杂度: 1,040

ALIASES

名称与别名

共 2 条

(RS)-[5-Dimethylamino-2-(3-oxo-3-{3-[3-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-5-yl]-phenyl}-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert.-butyl esterSCHEMBL6165927

REACTIONS