{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | T634-0826 |
| Compound Name: | {7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C26 H27 N3 O2 |
| Smiles: | Cc1ccc(cn1)C(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6475 |
| logD: | 3.2688 |
| logSw: | -3.6018 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.169 |
| InChI Key: | CVRDTGZFJXNTAZ-UHFFFAOYSA-N |