N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | V017-4529 |
| Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-methoxybenzamide |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C25 H22 F2 N2 O4 |
| Smiles: | CC1C(N(Cc2cc(cc(c2)F)F)Cc2cc(ccc2O1)NC(c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2778 |
| logD: | 4.2777 |
| logSw: | -4.3337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.216 |
| InChI Key: | WSQJIPMDRANGAT-HNNXBMFYSA-N |