3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(3-fluorophenyl)propanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(3-fluorophenyl)propanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(3-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | S629-0067 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(3-fluorophenyl)propanamide |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C20 H21 F N2 O3 |
| Smiles: | CC(N1CCOc2ccc(CCC(Nc3cccc(c3)F)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9308 |
| logD: | 2.9301 |
| logSw: | -3.2282 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.448 |
| InChI Key: | AFZZBSKICXCHHR-UHFFFAOYSA-N |