2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)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-ethyl-6-methylphenyl)acetamide
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F831-0994 |
| Compound Name: | 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C28 H30 N6 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1c(C)cccc1CC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3218 |
| logD: | 5.2768 |
| logSw: | -5.1797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.479 |
| InChI Key: | TXHBGFLPHMYJJS-UHFFFAOYSA-N |