ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1244 |
| Compound Name: | ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 518.99 |
| Molecular Formula: | C24 H24 Cl F N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)OC)n2c(NC=1C)nc(n2)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4561 |
| logD: | 5.3552 |
| logSw: | -6.0397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.514 |
| InChI Key: | DMLUNYGUIMYXKZ-NRFANRHFSA-N |