3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(piperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(piperidin-1-yl)propan-1-one
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(piperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0734 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(piperidin-1-yl)propan-1-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C18 H26 N2 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(N3CCCCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9224 |
| logD: | 1.9224 |
| logSw: | -2.629 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.778 |
| InChI Key: | UBEZYWSJQKEGBM-UHFFFAOYSA-N |