N-(3-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | L849-1758 |
Compound Name: | N-(3-methoxyphenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 434.52 |
Molecular Formula: | C22 H22 N6 O2 S |
Smiles: | Cn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(Nc1cccc(c1)OC)=O |
Stereo: | ACHIRAL |
logP: | 2.799 |
logD: | 2.799 |
logSw: | -3.4775 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.828 |
InChI Key: | DHYYPXZAPZKECD-UHFFFAOYSA-N |