{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methoxyphenyl)methanone
Chemical Structure Depiction of
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methoxyphenyl)methanone
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | T634-0817 |
| Compound Name: | {7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-methoxyphenyl)methanone |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C27 H28 N2 O3 |
| Smiles: | COc1cccc(c1)C(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2817 |
| logD: | 3.9029 |
| logSw: | -4.2706 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.769 |
| InChI Key: | ZVMHWDDBQDQUSI-UHFFFAOYSA-N |