3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0730 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C13 H18 N2 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(N)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5256 |
| logD: | 0.5256 |
| logSw: | -2.2332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.045 |
| InChI Key: | PYOLHCWEHAGVHR-UHFFFAOYSA-N |