2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G113-0041 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 539.7 |
| Molecular Formula: | C31 H33 N5 O2 S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccc(C)cc1C)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5661 |
| logD: | 7.5655 |
| logSw: | -5.5253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.134 |
| InChI Key: | CUFCZOCTPZAGJZ-NDEPHWFRSA-N |