2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | T634-0708 |
| Compound Name: | 2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C24 H30 N2 O3 |
| Smiles: | Cc1ccc(cc1)OCC(N1CCOc2ccc(CN3CCCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6235 |
| logD: | 1.9924 |
| logSw: | -3.528 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.535 |
| InChI Key: | UJJLYHSHSHJKOR-UHFFFAOYSA-N |