N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V021-2565 |
| Compound Name: | N-{4-[(2-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 428.96 |
| Molecular Formula: | C24 H29 Cl N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(CC(C)(C)C)=O)Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5385 |
| logD: | 5.5385 |
| logSw: | -5.8429 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.924 |
| InChI Key: | YNHXIJRGQCOHCJ-FQEVSTJZSA-N |