2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G113-0040 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 555.7 |
| Molecular Formula: | C31 H33 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccc(C)cc1C)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0044 |
| logD: | 7.0038 |
| logSw: | -5.5332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.258 |
| InChI Key: | IEFSTIYMJYUZEY-NDEPHWFRSA-N |