3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0597 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C=Cn2c(C1=O)nnc2SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8701 |
| logD: | 2.8701 |
| logSw: | -3.0925 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.21 |
| InChI Key: | AQPVSNMETJXIEX-UHFFFAOYSA-N |