3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[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-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0951 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0913 |
| logD: | 2.0913 |
| logSw: | -2.8507 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.334 |
| InChI Key: | FMIKYDFODLPEKH-UHFFFAOYSA-N |