N-(2-ethyl-6-methylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2-ethyl-6-methylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L849-0684 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CSc1nnc(c2cn(C)nc2c2cccc(c2)OC)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.655 |
| logD: | 3.655 |
| logSw: | -3.7359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.432 |
| InChI Key: | BIUIABUFRUYBAC-UHFFFAOYSA-N |