N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | V003-4920 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide |
| Molecular Weight: | 456.88 |
| Molecular Formula: | C24 H19 Cl F2 N2 O3 |
| Smiles: | CC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(c1c(cccc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7716 |
| logD: | 4.7588 |
| logSw: | -5.2023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.672 |
| InChI Key: | UANYVMBVLHQPIQ-AWEZNQCLSA-N |