1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | V002-2133 |
| Compound Name: | 1-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 459.98 |
| Molecular Formula: | C27 H26 Cl N3 O2 |
| Smiles: | COc1ccc(cc1)C1CC(c2ccccc2[Cl])=NN1C(CN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3689 |
| logD: | 5.3588 |
| logSw: | -5.8762 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.797 |
| InChI Key: | XYKXRAUOICBENE-SANMLTNESA-N |