3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-propylpropanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-propylpropanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-propylpropanamide
Compound characteristics
| Compound ID: | S629-0972 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-propylpropanamide |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C16 H24 N2 O4 S |
| Smiles: | CCCNC(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3966 |
| logD: | 1.3966 |
| logSw: | -2.5298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.971 |
| InChI Key: | SCEIIKFHAJPDKF-UHFFFAOYSA-N |