2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)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-(1,3-thiazol-2-yl)acetamide
2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | L849-1266 |
| Compound Name: | 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C20 H21 N7 O S2 |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(C)cc2)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0414 |
| logD: | 3.0409 |
| logSw: | -3.315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.677 |
| InChI Key: | GXBBCYYNHLPURC-UHFFFAOYSA-N |