N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Chemical Structure Depiction of
N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | V003-3527 |
| Compound Name: | N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,4-difluorobenzamide |
| Molecular Weight: | 470.9 |
| Molecular Formula: | C25 H21 Cl F2 N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1F)F)=O)Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6107 |
| logD: | 5.5978 |
| logSw: | -5.8746 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | NQOPVGJIVOLMSM-QFIPXVFZSA-N |