3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | S629-0071 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 420.43 |
| Molecular Formula: | C22 H23 F3 N2 O3 |
| Smiles: | CC(N1CCOc2ccc(CCC(NCc3cccc(c3)C(F)(F)F)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2763 |
| logD: | 3.2763 |
| logSw: | -3.4539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.77 |
| InChI Key: | REKUNVLYJKLZCI-UHFFFAOYSA-N |