3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(piperidin-1-yl)propyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(piperidin-1-yl)propyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(piperidin-1-yl)propyl]propanamide
Compound characteristics
| Compound ID: | S629-0755 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(piperidin-1-yl)propyl]propanamide |
| Molecular Weight: | 423.57 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCCCN3CCCCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4732 |
| logD: | -1.1809 |
| logSw: | -2.5504 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.682 |
| InChI Key: | QZOZIMUFAIAZML-UHFFFAOYSA-N |