3-{4-[(3,4-dimethylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-{4-[(3,4-dimethylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
3-{4-[(3,4-dimethylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1169 |
| Compound Name: | 3-{4-[(3,4-dimethylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide |
| Molecular Weight: | 366.5 |
| Molecular Formula: | C23 H30 N2 O2 |
| Smiles: | Cc1ccc(CN2CCOc3ccc(CCC(N(C)C)=O)cc3C2)cc1C |
| Stereo: | ACHIRAL |
| logP: | 3.7519 |
| logD: | 1.8568 |
| logSw: | -3.7692 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.3884 |
| InChI Key: | OCHYVPSQFQZUET-UHFFFAOYSA-N |