3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-1002 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide |
| Molecular Weight: | 423.57 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Smiles: | CN1CCC(CCNC(CCc2ccc3c(CN(CCO3)S(C)(=O)=O)c2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.2316 |
| logD: | -0.6765 |
| logSw: | -2.5314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.368 |
| InChI Key: | XOIDOGYISYCBKT-UHFFFAOYSA-N |