ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 8005-8447 |
Compound Name: | ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 364.42 |
Molecular Formula: | C17 H20 N2 O5 S |
Smiles: | CCOC(C1C(c2ccc(c(c2)OC)OC(C)=O)NC(NC=1C)=S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9809 |
logD: | 1.9648 |
logSw: | -2.7496 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.896 |
InChI Key: | ZSIMDWQNENOQHB-OAHLLOKOSA-N |