2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F831-0980 |
| Compound Name: | 2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C21 H22 N6 O S |
| Smiles: | Cc1ccc(C)c(c1)c1cc2c3nnc(n3ccn2n1)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8664 |
| logD: | 2.8391 |
| logSw: | -3.0703 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.067 |
| InChI Key: | XZSSTKGDHPGMBB-UHFFFAOYSA-N |