4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide
4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V003-7183 |
| Compound Name: | 4-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzene-1-sulfonamide |
| Molecular Weight: | 508.49 |
| Molecular Formula: | C24 H20 F4 N2 O4 S |
| Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5806 |
| logD: | 4.4791 |
| logSw: | -4.507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.23 |
| InChI Key: | XYTQNCGAKLWMPJ-OAHLLOKOSA-N |