1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(3-methoxyphenyl)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-(3-methoxyphenyl)ethan-1-one
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | T634-0799 |
| Compound Name: | 1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C28 H30 N2 O3 |
| Smiles: | COc1cccc(CC(N2CCOc3ccc(CN4CCc5ccccc5C4)cc3C2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7721 |
| logD: | 4.3934 |
| logSw: | -4.5894 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.242 |
| InChI Key: | QIBCZAVOHOCNJF-UHFFFAOYSA-N |