7-(4-ethoxyphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-ethoxyphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-ethoxyphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0949 |
| Compound Name: | 7-(4-ethoxyphenyl)-3-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)C(CSc1nnc2C(N(C=Cn12)c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.601 |
| logD: | 2.601 |
| logSw: | -2.7721 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.196 |
| InChI Key: | RUBIEFCUOUDWIY-UHFFFAOYSA-N |