N-(3,4-dimethylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-1103 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0922 |
| logD: | 3.0922 |
| logSw: | -3.2529 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.975 |
| InChI Key: | KFYIXPKQQROIKZ-UHFFFAOYSA-N |