N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | L849-1292 |
Compound Name: | N-(3-chloro-4-fluorophenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
Molecular Weight: | 470.95 |
Molecular Formula: | C22 H20 Cl F N6 O S |
Smiles: | Cc1ccc(cc1)c1c(cn(C)n1)c1nnc(n1C)SCC(Nc1ccc(c(c1)[Cl])F)=O |
Stereo: | ACHIRAL |
logP: | 3.9912 |
logD: | 3.983 |
logSw: | -4.4367 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.284 |
InChI Key: | PHIPOENRIBRZGI-UHFFFAOYSA-N |