N-(3,4-dimethylphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
N-(3,4-dimethylphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E141-1062 |
| Compound Name: | N-(3,4-dimethylphenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 352.46 |
| Molecular Formula: | C19 H20 N4 O S |
| Smiles: | Cc1ccc(cc1C)NC(c1c(C)n(c2cccc(c2)SC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2812 |
| logD: | 4.2811 |
| logSw: | -4.2756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.173 |
| InChI Key: | VGNWMNSQWNLTPV-UHFFFAOYSA-N |