3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2407 |
| Compound Name: | 3-{4-[(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C24 H35 N3 O3 |
| Smiles: | C1CCCN(CC1)CC(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7812 |
| logD: | 2.6428 |
| logSw: | -2.9927 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.126 |
| InChI Key: | CAGKLUOJHQYXKD-UHFFFAOYSA-N |