3-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide
Chemical Structure Depiction of
3-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide
3-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide
Compound characteristics
| Compound ID: | V003-7170 |
| Compound Name: | 3-fluoro-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzamide |
| Molecular Weight: | 472.44 |
| Molecular Formula: | C25 H20 F4 N2 O3 |
| Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(c1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7621 |
| logD: | 4.7608 |
| logSw: | -4.6636 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.672 |
| InChI Key: | HGNFQUYHCPTDFI-OAHLLOKOSA-N |