N-{4-[(3,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide
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-methoxyacetamide
N-{4-[(3,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide
Compound characteristics
| Compound ID: | V017-4576 |
| Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-methoxyacetamide |
| Molecular Weight: | 404.41 |
| Molecular Formula: | C21 H22 F2 N2 O4 |
| Smiles: | CCC1C(N(Cc2cc(cc(c2)F)F)Cc2cc(ccc2O1)NC(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2792 |
| logD: | 3.2792 |
| logSw: | -3.4066 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.348 |
| InChI Key: | MFPKSHOGGFSNLY-SFHVURJKSA-N |