3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-1446 |
| Compound Name: | 3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | C1CCCN(CC1)CC(N1CCOc2ccc(CCC(N)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6034 |
| logD: | 1.4649 |
| logSw: | -2.1234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.027 |
| InChI Key: | VEFZTLXSXRBUAA-UHFFFAOYSA-N |