N-(2-chlorophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F831-0456 |
Compound Name: | N-(2-chlorophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
Molecular Weight: | 448.93 |
Molecular Formula: | C22 H17 Cl N6 O S |
Smiles: | Cc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccccc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.6949 |
logD: | 3.3967 |
logSw: | -3.9198 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.76 |
InChI Key: | VJFUINQKCOXHGR-UHFFFAOYSA-N |