7-(4-acetamidophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-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}-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-acetamidophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2443 |
| Compound Name: | 7-(4-acetamidophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 568.7 |
| Molecular Formula: | C31 H32 N6 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(C)=O)n2c(N1)nc(n2)SCc1ccc(C)cc1C)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8367 |
| logD: | 5.836 |
| logSw: | -5.4097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.396 |
| InChI Key: | NBUDRTLREFYMQY-NDEPHWFRSA-N |