1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | V002-2119 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc3c(c2)OCO3)N(C(CN2CCc3ccccc3C2)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3824 |
| logD: | 5.3724 |
| logSw: | -5.4389 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.369 |
| InChI Key: | KHEOVEIRRNEVIK-UHFFFAOYSA-N |