{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-fluorophenyl)methanone
Chemical Structure Depiction of
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-fluorophenyl)methanone
{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-fluorophenyl)methanone
Compound characteristics
| Compound ID: | T634-0810 |
| Compound Name: | {7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(3-fluorophenyl)methanone |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C26 H25 F N2 O2 |
| Smiles: | C1CN(Cc2ccc3c(CN(CCO3)C(c3cccc(c3)F)=O)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.3423 |
| logD: | 3.9635 |
| logSw: | -4.346 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2254 |
| InChI Key: | MKSCEJGBGGKIQP-UHFFFAOYSA-N |