3-methyl-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one
3-methyl-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one
Compound characteristics
| Compound ID: | T634-0101 |
| Compound Name: | 3-methyl-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}butan-1-one |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C19 H28 N2 O3 |
| Smiles: | CC(C)CC(N1CCOc2ccc(CN3CCOCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.273 |
| logD: | 2.2111 |
| logSw: | -2.7286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.216 |
| InChI Key: | PEZQGNKTWCATAF-UHFFFAOYSA-N |