1-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | C163-0294 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(N2CCc3ccccc3C2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7938 |
| logD: | 1.7938 |
| logSw: | -2.1369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.333 |
| InChI Key: | JHKSOPOSYQNASY-UHFFFAOYSA-N |