2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0556 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C24 H24 N6 S |
| Smiles: | Cc1ccc(CSc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0066 |
| logD: | 4.1253 |
| logSw: | -4.8145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.703 |
| InChI Key: | CRMSQCRGFAHQGL-UHFFFAOYSA-N |