HRID1265791
uspto-grants-2003_04
作为反应物
uspto-grants-2003_04 · 10.6084/m9.figshare.5104873.v1 · US06544985B2
查看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
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
- XLogP
- 5.4
- 极性表面积
- 132 Ų
- 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
(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