2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | L849-0560 |
| Compound Name: | 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-methyl-N-phenylacetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | CCn1c(c2cn(C)nc2c2cccc(c2)OC)nnc1SCC(N(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0425 |
| logD: | 3.0425 |
| logSw: | -3.2836 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.707 |
| InChI Key: | KWQXUSIQEYOJDR-UHFFFAOYSA-N |