3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(piperidin-1-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(piperidin-1-yl)ethyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(piperidin-1-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0696 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(piperidin-1-yl)ethyl]propanamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCCN3CCCCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.35 |
| logD: | -0.3739 |
| logSw: | -2.4751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.682 |
| InChI Key: | PKNJWDSLZGZCLE-UHFFFAOYSA-N |