N-{4-[(3,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{4-[(3,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide
N-{4-[(3,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | V017-4564 |
| Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methylpropanamide |
| Molecular Weight: | 402.44 |
| Molecular Formula: | C22 H24 F2 N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(cc(c2)F)F)Cc2cc(ccc2O1)NC(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2899 |
| logD: | 4.2899 |
| logSw: | -4.215 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.138 |
| InChI Key: | NRCIJRYOMPZXFO-IBGZPJMESA-N |