2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0246 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C26 H28 N6 O2 S |
| Smiles: | Cc1ccc(CSc2nc3cc(c(cc3c3nc(CCn4c(C)cc(C)n4)nn23)OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8125 |
| logD: | 3.5704 |
| logSw: | -3.8445 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.034 |
| InChI Key: | DQYDDCFEVDOATG-UHFFFAOYSA-N |