N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V022-9003 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C23 H27 Cl N2 O3 |
| Smiles: | CC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(CC(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7093 |
| logD: | 4.7093 |
| logSw: | -4.8071 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.73 |
| InChI Key: | LRMCEBOYBLWZOV-HNNXBMFYSA-N |