N,N-dimethyl-3-{4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N,N-dimethyl-3-{4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N,N-dimethyl-3-{4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-1193 |
| Compound Name: | N,N-dimethyl-3-{4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C20 H25 N3 O2 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)Cc2ccncc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4175 |
| logD: | 1.1239 |
| logSw: | -1.5401 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.817 |
| InChI Key: | YUEYTUXNPMMEQF-UHFFFAOYSA-N |