2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
Chemical Structure Depiction of
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | L849-0360 |
| Compound Name: | 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide |
| Molecular Weight: | 459.01 |
| Molecular Formula: | C22 H27 Cl N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(cc2)[Cl])nnc1SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9428 |
| logD: | 3.9428 |
| logSw: | -4.3642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.246 |
| InChI Key: | RDADQLFQEMCDKN-UHFFFAOYSA-N |