2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0839 |
| Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C30 H31 N5 O S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1cc(C)ccc1C)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5309 |
| logD: | 7.5303 |
| logSw: | -5.5105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | ZHYMUHLECJNYSF-MHZLTWQESA-N |