2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F831-0974 |
| Compound Name: | 2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C25 H24 N6 O S2 |
| Smiles: | Cc1ccc(C)c(c1)c1cc2c3nnc(n3ccn2n1)SCC(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2232 |
| logD: | 4.1959 |
| logSw: | -4.217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.779 |
| InChI Key: | WJSJYEJKHUTCPA-UHFFFAOYSA-N |