3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0948 |
| Compound Name: | 3-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2241 |
| logD: | 3.2241 |
| logSw: | -3.3293 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.073 |
| InChI Key: | XDYLQMWTQBSCCU-UHFFFAOYSA-N |