N-(3-cyanophenyl)-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-cyanophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-cyanophenyl)-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: | L849-1264 |
| Compound Name: | N-(3-cyanophenyl)-2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 457.56 |
| Molecular Formula: | C24 H23 N7 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(C)cc2)nnc1SCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7365 |
| logD: | 3.7364 |
| logSw: | -3.7348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.255 |
| InChI Key: | ISOITZKLDLOFNT-UHFFFAOYSA-N |