ethyl 7-(4-ethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-ethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-ethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | C202-2573 |
Compound Name: | ethyl 7-(4-ethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 374.46 |
Molecular Formula: | C18 H22 N4 O3 S |
Smiles: | CCOC(C1C(c2ccc(cc2)OCC)n2c(NC=1C)nc(n2)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7789 |
logD: | 3.6105 |
logSw: | -3.8559 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.648 |
InChI Key: | PLFJVALISKDANJ-HNNXBMFYSA-N |