3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0723 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(N3CCN(CC3)c3ccccc3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5577 |
| logD: | 2.5576 |
| logSw: | -2.9052 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.039 |
| InChI Key: | AAMQDSUHOMUTNG-UHFFFAOYSA-N |