3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(3-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(3-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(3-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0684 |
| Compound Name: | 3-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-7-(3-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1ccc(C(CSc2nnc3C(N(C=Cn23)c2cccc(c2)OC)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1615 |
| logD: | 3.1615 |
| logSw: | -3.229 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.493 |
| InChI Key: | MANLNZUNTGBSII-UHFFFAOYSA-N |