7-(4-acetamidophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-acetamidophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-acetamidophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2830 |
| Compound Name: | 7-(4-acetamidophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 538.67 |
| Molecular Formula: | C30 H30 N6 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(C)=O)n2c(N1)nc(n2)SCc1ccc(C)cc1C)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6626 |
| logD: | 5.662 |
| logSw: | -5.3854 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.853 |
| InChI Key: | UYRFBYRKOBEPLV-MHZLTWQESA-N |