3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(1-methylpiperidin-4-yl)propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(1-methylpiperidin-4-yl)propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(1-methylpiperidin-4-yl)propanamide
Compound characteristics
| Compound ID: | S629-0707 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-(1-methylpiperidin-4-yl)propanamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C19 H29 N3 O4 S |
| Smiles: | CN1CCC(CC1)NC(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7728 |
| logD: | -1.7613 |
| logSw: | -2.5442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.059 |
| InChI Key: | VVDKZJYVKVPHMT-UHFFFAOYSA-N |