1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-fluorophenyl)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-fluorophenyl)ethan-1-one
1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | T634-0818 |
| Compound Name: | 1-{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C27 H27 F N2 O2 |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(Cc3ccccc3F)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9049 |
| logD: | 4.5261 |
| logSw: | -4.866 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.698 |
| InChI Key: | SHHJHBDJIXGFOM-UHFFFAOYSA-N |