N-(3-cyanophenyl)-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-cyanophenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyanophenyl)-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: | L849-1852 |
| Compound Name: | N-(3-cyanophenyl)-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C22 H19 N7 O S |
| Smiles: | Cn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5935 |
| logD: | 2.5934 |
| logSw: | -3.3047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.34 |
| InChI Key: | YHUWLRYCONGHRQ-UHFFFAOYSA-N |