1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-methoxyethoxy)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-(2-methoxyethoxy)ethan-1-one
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-methoxyethoxy)ethan-1-one
Compound characteristics
| Compound ID: | T634-0797 |
| Compound Name: | 1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-methoxyethoxy)ethan-1-one |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C24 H30 N2 O4 |
| Smiles: | COCCOCC(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1028 |
| logD: | 1.724 |
| logSw: | -2.5604 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.665 |
| InChI Key: | JHLDONCXBBFJDR-UHFFFAOYSA-N |