3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0391 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | COc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7048 |
| logD: | 1.7048 |
| logSw: | -2.4319 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.754 |
| InChI Key: | MXVYHNTYYGMIRA-UHFFFAOYSA-N |