2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V023-3897 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C29 H31 N3 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C1CC(c2cc(C)ccc2C)=NN1C(CN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1949 |
| logD: | 6.1848 |
| logSw: | -5.4802 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.2532 |
| InChI Key: | MTMRIEBEUCULMV-NDEPHWFRSA-N |