prop-2-en-1-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-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-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7632 |
| Compound Name: | prop-2-en-1-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 481.02 |
| Molecular Formula: | C25 H25 Cl N4 O2 S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1[Cl])C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4876 |
| logD: | 6.429 |
| logSw: | -6.2416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.547 |
| InChI Key: | NSKOTOKUPJMYGC-QFIPXVFZSA-N |