3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyridin-3-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyridin-3-yl)ethyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyridin-3-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0688 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(pyridin-3-yl)ethyl]propanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCCc3cccnc3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6513 |
| logD: | 0.6497 |
| logSw: | -2.0146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.217 |
| InChI Key: | OOZQNXNIBMDRLX-UHFFFAOYSA-N |