ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1237 |
| Compound Name: | ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C20 H18 Cl F N4 O2 S2 |
| Smiles: | CCOC(C1C(c2cccs2)n2c(NC=1C)nc(n2)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4177 |
| logD: | 5.2805 |
| logSw: | -5.889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.271 |
| InChI Key: | QHSGIDFAGSJCOC-KRWDZBQOSA-N |