2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V005-9915 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C28 H28 F N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(C2CC(c3ccc(cc3)F)=NN2C(CN2CCc3ccccc3C2)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1348 |
| logD: | 5.1247 |
| logSw: | -5.0293 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.427 |
| InChI Key: | ACVXVEMJMCBHBF-AREMUKBSSA-N |