N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-0519 |
| Compound Name: | N-(2,4-dimethylphenyl)-5-methyl-2-(methylsulfanyl)-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(N1)nc(n2)SC)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6869 |
| logD: | 4.6859 |
| logSw: | -4.4285 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.546 |
| InChI Key: | NDVXSYCRINCKRQ-IBGZPJMESA-N |