N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | V017-4757 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide |
| Molecular Weight: | 442.85 |
| Molecular Formula: | C23 H17 Cl F2 N2 O3 |
| Smiles: | C(c1ccc(cc1)[Cl])N1Cc2cc(ccc2OCC1=O)NC(c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0203 |
| logD: | 4.0075 |
| logSw: | -4.6174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.668 |
| InChI Key: | VSFZZKFPCHIXPR-UHFFFAOYSA-N |