N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-(trifluoromethyl)benzamide
N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V004-3169 |
| Compound Name: | N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 486.47 |
| Molecular Formula: | C26 H22 F4 N2 O3 |
| Smiles: | CCC1C(N(Cc2ccc(cc2)F)Cc2cc(ccc2O1)NC(c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3693 |
| logD: | 5.3687 |
| logSw: | -5.5894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | RHZPISKUPINDMM-QFIPXVFZSA-N |