N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0851 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 523.7 |
| Molecular Formula: | C31 H33 N5 O S |
| Smiles: | CC1=C(C(c2ccc(C)cc2)n2c(N1)nc(n2)SCc1cc(C)ccc1C)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8962 |
| logD: | 7.8955 |
| logSw: | -5.4876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | QYTBHOFBIGIFPD-NDEPHWFRSA-N |