3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0722 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Smiles: | CC(C)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5763 |
| logD: | 1.0305 |
| logSw: | -2.4324 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.643 |
| InChI Key: | HYJMRZTWIKMJGZ-UHFFFAOYSA-N |