2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(3-cyanophenyl)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-(3-cyanophenyl)acetamide
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(3-cyanophenyl)acetamide
Compound characteristics
| Compound ID: | F831-1017 |
| Compound Name: | 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(3-cyanophenyl)acetamide |
| Molecular Weight: | 497.58 |
| Molecular Formula: | C26 H23 N7 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.514 |
| logD: | 4.469 |
| logSw: | -4.2425 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.931 |
| InChI Key: | MMXDTXVCCXWAOH-UHFFFAOYSA-N |