2-(3-methylphenyl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
2-(3-methylphenyl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | T634-0013 |
| Compound Name: | 2-(3-methylphenyl)-1-{7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C23 H28 N2 O3 |
| Smiles: | Cc1cccc(CC(N2CCOc3ccc(CN4CCOCC4)cc3C2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2834 |
| logD: | 3.2215 |
| logSw: | -3.1482 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.945 |
| InChI Key: | VOAQSBHLBBXEEO-UHFFFAOYSA-N |