3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(3,5-difluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(3,5-difluorophenyl)methyl]propanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(3,5-difluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0070 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-[(3,5-difluorophenyl)methyl]propanamide |
| Molecular Weight: | 388.41 |
| Molecular Formula: | C21 H22 F2 N2 O3 |
| Smiles: | CC(N1CCOc2ccc(CCC(NCc3cc(cc(c3)F)F)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0106 |
| logD: | 3.0106 |
| logSw: | -3.2107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.77 |
| InChI Key: | QPPHJLFYNKMXEO-UHFFFAOYSA-N |