2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L849-1326 |
| Compound Name: | 2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C24 H26 N6 O S |
| Smiles: | Cc1ccc(CNC(CSc2nnc(c3cn(C)nc3c3ccc(C)cc3)n2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3657 |
| logD: | 3.3657 |
| logSw: | -3.4934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.606 |
| InChI Key: | LAUMSLMDAREBOC-UHFFFAOYSA-N |