2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V002-1670 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C28 H28 F N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1CC(c2ccc(cc2)F)=NN1C(CN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3948 |
| logD: | 5.3848 |
| logSw: | -5.3993 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.377 |
| InChI Key: | DEROPICDWZCRLF-MHZLTWQESA-N |