3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
Compound characteristics
| Compound ID: | S629-0644 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(morpholin-4-yl)propyl]propanamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C20 H31 N3 O5 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCCCN3CCOCC3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3663 |
| logD: | -0.0572 |
| logSw: | -2.3688 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.59 |
| InChI Key: | VHUVPEPZLHXGEK-UHFFFAOYSA-N |