N-(2,4-difluorophenyl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-(2,4-difluorophenyl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0667 |
| Compound Name: | N-(2,4-difluorophenyl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 410.44 |
| Molecular Formula: | C19 H20 F2 N2 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(Nc3ccc(cc3F)F)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5452 |
| logD: | 2.5066 |
| logSw: | -3.0985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.838 |
| InChI Key: | PZYLGJNDLAPCMV-UHFFFAOYSA-N |