2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
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-(2-ethyl-6-methylphenyl)acetamide
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L849-0573 |
| Compound Name: | 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CSc1nnc(c2cn(C)nc2c2cccc(c2)OC)n1CC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2695 |
| logD: | 4.2695 |
| logSw: | -4.1818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.347 |
| InChI Key: | VDQSGCZYQRRGIX-UHFFFAOYSA-N |