N,N-dimethyl-3-{4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N,N-dimethyl-3-{4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N,N-dimethyl-3-{4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-1178 |
| Compound Name: | N,N-dimethyl-3-{4-[(3-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C22 H28 N2 O2 |
| Smiles: | Cc1cccc(CN2CCOc3ccc(CCC(N(C)C)=O)cc3C2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4206 |
| logD: | 2.0527 |
| logSw: | -3.4056 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.3884 |
| InChI Key: | RFQFUIDRRKGTGX-UHFFFAOYSA-N |