3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0969 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.9344 |
| logD: | 3.9344 |
| logSw: | -3.7738 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.826 |
| InChI Key: | YKBLPUBGJFNFAU-UHFFFAOYSA-N |