2-{[9-(4-butoxyphenyl)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-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[9-(4-butoxyphenyl)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: | F831-1067 |
| Compound Name: | 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C23 H26 N6 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.697 |
| logD: | 3.652 |
| logSw: | -3.7694 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.484 |
| InChI Key: | BVYUIDJPYRXKBV-UHFFFAOYSA-N |