2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
Compound ID: | F831-0991 |
Compound Name: | 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
Molecular Weight: | 514.65 |
Molecular Formula: | C28 H30 N6 O2 S |
Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1c(C)cc(C)cc1C)=O |
Stereo: | ACHIRAL |
logP: | 5.1663 |
logD: | 5.1214 |
logSw: | -4.8733 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.479 |
InChI Key: | HSSLVWBVIODJTO-UHFFFAOYSA-N |