2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(3-methoxyphenyl)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-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0587 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(3-methoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 444.56 |
| Molecular Formula: | C24 H24 N6 O S |
| Smiles: | Cc1c(CCc2nc3c4ccccc4nc(n3n2)SCc2cccc(c2)OC)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9162 |
| logD: | 4.0348 |
| logSw: | -4.9455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.246 |
| InChI Key: | VKRXDOCREAQUGE-UHFFFAOYSA-N |