3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-0125 |
| Compound Name: | 3-(4-acetyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-(4-methylpiperidin-1-yl)propan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC1CCN(CC1)C(CCc1ccc2c(CN(CCO2)C(C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4008 |
| logD: | 2.4008 |
| logSw: | -2.6329 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.691 |
| InChI Key: | PZEPGHGEENTLLV-UHFFFAOYSA-N |