3-{4-[(3-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-{4-[(3-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
3-{4-[(3-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1176 |
| Compound Name: | 3-{4-[(3-cyanophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylpropanamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C22 H25 N3 O2 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)Cc2cccc(C#N)c2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3485 |
| logD: | 2.1466 |
| logSw: | -2.6156 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.445 |
| InChI Key: | GQBYUHJDMFCVGT-UHFFFAOYSA-N |