1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-1015 |
| Compound Name: | 1-[4-(butan-2-yl)piperazin-1-yl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 423.57 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Smiles: | CCC(C)N1CCN(CC1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.013 |
| logD: | 1.4538 |
| logSw: | -2.6431 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.227 |
| InChI Key: | WIDRGXBFGOBFNL-KRWDZBQOSA-N |