4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(pyridin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(pyridin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(pyridin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C125-0462 |
| Compound Name: | 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(pyridin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C28 H29 F N4 O4 |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccccc2F)=O)c2cc(c(cc2C1=O)OC)OC)c1cccnc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3398 |
| logD: | 2.3398 |
| logSw: | -2.7332 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.075 |
| InChI Key: | NSDCOSMUQHOXCX-UHFFFAOYSA-N |