3-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one
3-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one
Compound characteristics
| Compound ID: | T634-0645 |
| Compound Name: | 3-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C20 H30 N2 O2 |
| Smiles: | CC(C)CC(N1CCOc2ccc(CN3CCCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.38 |
| logD: | 1.7489 |
| logSw: | -3.4291 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.3076 |
| InChI Key: | PLISRSRWKNSPHT-UHFFFAOYSA-N |