prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7626 |
| Compound Name: | prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5513 |
| logD: | 5.4927 |
| logSw: | -5.4907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.547 |
| InChI Key: | IFMSQQHWHAJATI-QFIPXVFZSA-N |