2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
Compound ID: | F831-0739 |
Compound Name: | 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
Molecular Weight: | 481 |
Molecular Formula: | C22 H17 Cl N6 O S2 |
Smiles: | CSc1cccc(c1)NC(CSc1nnc2c3cc(c4ccc(cc4)[Cl])nn3ccn12)=O |
Stereo: | ACHIRAL |
logP: | 4.2764 |
logD: | 4.2061 |
logSw: | -4.5554 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.457 |
InChI Key: | RVORELSUUVDBQY-UHFFFAOYSA-N |