N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Chemical Structure Depiction of
N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | V003-5197 |
| Compound Name: | N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide |
| Molecular Weight: | 454.45 |
| Molecular Formula: | C25 H21 F3 N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1F)F)=O)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2672 |
| logD: | 5.2543 |
| logSw: | -5.1602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | QXKYAEDKQYEWSN-JOCHJYFZSA-N |