3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0697 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-methylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 381.49 |
| Molecular Formula: | C18 H27 N3 O4 S |
| Smiles: | CN1CCN(CC1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7405 |
| logD: | 0.4935 |
| logSw: | -2.2623 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.255 |
| InChI Key: | BLVSXXJTGLFSJC-UHFFFAOYSA-N |