N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluoro-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluoro-4-methylbenzene-1-sulfonamide
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluoro-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V003-2818 |
| Compound Name: | N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-fluoro-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 536.54 |
| Molecular Formula: | C26 H24 F4 N2 O4 S |
| Smiles: | CCC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NS(c1ccc(C)c(c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7657 |
| logD: | 5.7243 |
| logSw: | -5.6407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.425 |
| InChI Key: | AAPUWSRUNCQNHH-HSZRJFAPSA-N |