2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Compound characteristics
| Compound ID: | K280-0545 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione |
| Molecular Weight: | 324.41 |
| Molecular Formula: | C16 H16 N6 S |
| Smiles: | Cc1c(CCc2nc3c4ccccc4NC(n3n2)=S)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.889 |
| logD: | 2.8704 |
| logSw: | -3.5074 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.052 |
| InChI Key: | WZWIDDPFFNKVMF-UHFFFAOYSA-N |