ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-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}-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1242 |
| Compound Name: | ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C23 H22 Cl F N4 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)n2c(NC=1C)nc(n2)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7759 |
| logD: | 5.6749 |
| logSw: | -6.0903 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.797 |
| InChI Key: | BAHPEHPFMVXYHT-FQEVSTJZSA-N |