3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0954 |
| Compound Name: | 3-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C21 H17 Cl N4 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8626 |
| logD: | 2.8626 |
| logSw: | -3.6488 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.073 |
| InChI Key: | HAUNUXUNZZNUAJ-UHFFFAOYSA-N |