N-[(3,5-difluorophenyl)methyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-[(3,5-difluorophenyl)methyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-[(3,5-difluorophenyl)methyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0684 |
| Compound Name: | N-[(3,5-difluorophenyl)methyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C20 H22 F2 N2 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCc3cc(cc(c3)F)F)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8626 |
| logD: | 2.8626 |
| logSw: | -3.4289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.857 |
| InChI Key: | QVEWSBKHILITOY-UHFFFAOYSA-N |