ethyl 7-(3,4-dimethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(3,4-dimethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(3,4-dimethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2034 |
| Compound Name: | ethyl 7-(3,4-dimethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C24 H25 F N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)OC)OC)n2c(NC=1C)nc(n2)SCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.308 |
| logD: | 4.207 |
| logSw: | -4.2973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.514 |
| InChI Key: | ZZDFEALWOYOLSK-NRFANRHFSA-N |