3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propan-1-one
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0703 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propan-1-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C24 H28 N2 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(N3CCC(=CC3)c3ccccc3)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4895 |
| logD: | 3.4895 |
| logSw: | -3.6841 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.507 |
| InChI Key: | VOBOOHURUSGLCZ-UHFFFAOYSA-N |