2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L849-1164 |
| Compound Name: | 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C25 H28 N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(C)cc2)nnc1SCC(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9802 |
| logD: | 3.9802 |
| logSw: | -3.9312 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.521 |
| InChI Key: | HICANXRRTOOXRL-UHFFFAOYSA-N |