2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide
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-fluorophenyl)-N-methylacetamide
2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide
Compound characteristics
| Compound ID: | F831-0964 |
| Compound Name: | 2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C24 H21 F N6 O S |
| Smiles: | Cc1ccc(C)c(c1)c1cc2c3nnc(n3ccn2n1)SCC(N(C)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4148 |
| logD: | 3.3875 |
| logSw: | -3.6863 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.421 |
| InChI Key: | YYNBIBPMEPCEFW-UHFFFAOYSA-N |