1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-methylphenoxy)ethan-1-one
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | T634-0857 |
| Compound Name: | 1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(4-methylphenoxy)ethan-1-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C28 H30 N2 O3 |
| Smiles: | Cc1ccc(cc1)OCC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5964 |
| logD: | 4.2177 |
| logSw: | -4.34 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.197 |
| InChI Key: | DFWASOLPLGYYGH-UHFFFAOYSA-N |