3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2,5-dimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2,5-dimethoxyphenyl)propanamide
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2,5-dimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | S629-0053 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N-(2,5-dimethoxyphenyl)propanamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C22 H26 N2 O5 |
| Smiles: | CC(N1CCOc2ccc(CCC(Nc3cc(ccc3OC)OC)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4608 |
| logD: | 2.4586 |
| logSw: | -2.9678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.924 |
| InChI Key: | XPHCISYGVFHRKN-UHFFFAOYSA-N |