2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2-methoxy-5-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-methoxy-5-methylphenyl)acetamide
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F831-1013 |
| Compound Name: | 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C27 H28 N6 O3 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1cc(C)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 4.445 |
| logSw: | -4.2656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.808 |
| InChI Key: | OVQRGCZMFIDWGY-UHFFFAOYSA-N |