3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0772 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(3-methylpiperidin-1-yl)propan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | CC1CCCN(C1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2891 |
| logD: | 2.2891 |
| logSw: | -2.7832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.712 |
| InChI Key: | OMDSYEZOMXZSLK-HNNXBMFYSA-N |