2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-ethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-ethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-ethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0713 |
| Compound Name: | 2-(benzylsulfanyl)-N-(2,4-dimethylphenyl)-7-(4-ethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C30 H31 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1)C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3367 |
| logD: | 6.336 |
| logSw: | -5.3797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.016 |
| InChI Key: | MMUCQAIABVCRSI-MHZLTWQESA-N |