2-({1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
2-({1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 8012-2619 |
| Compound Name: | 2-({1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C28 H28 N6 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(Cn1c(nc(c2ccc(cc2)[N+]([O-])=O)n1)SCC(Nc1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6619 |
| logD: | 5.6619 |
| logSw: | -5.3147 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.348 |
| InChI Key: | PTKTZATXRLYNKC-UHFFFAOYSA-N |