3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0056 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CC(N1CCOc2ccc(CCC(N3CCN(CC3)Cc3ccccc3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3868 |
| logD: | 2.3538 |
| logSw: | -2.6407 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.232 |
| InChI Key: | RSQHDSJVLUEUHX-UHFFFAOYSA-N |