N-(3-chlorophenyl)-2-({4-ethyl-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-chlorophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chlorophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | L849-1199 |
Compound Name: | N-(3-chlorophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
Molecular Weight: | 466.99 |
Molecular Formula: | C23 H23 Cl N6 O S |
Smiles: | CCn1c(c2cn(C)nc2c2ccc(C)cc2)nnc1SCC(Nc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.6291 |
logD: | 4.629 |
logSw: | -4.6698 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.199 |
InChI Key: | USEPFVRQBQOWDQ-UHFFFAOYSA-N |