ethyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | K832-3120 |
Compound Name: | ethyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 330.41 |
Molecular Formula: | C16 H18 N4 O2 S |
Smiles: | CCOC(C1C(c2ccc(cc2)SC)n2c(NC=1C)ncn2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1491 |
logD: | 2.8608 |
logSw: | -3.2008 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.743 |
InChI Key: | YQBDYSOPJZEMQP-AWEZNQCLSA-N |