5-[1-acetyl-5-(2-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[1-acetyl-5-(2-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(2-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
Compound ID: | D364-1141 |
Compound Name: | 5-[1-acetyl-5-(2-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
Molecular Weight: | 388.44 |
Molecular Formula: | C18 H20 N4 O4 S |
Smiles: | CCOc1ccccc1C1CC(C2=C(NC(N(C)C2=O)=S)O)=NN1C(C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.5698 |
logD: | -2.4129 |
logSw: | -2.296 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.352 |
InChI Key: | VFHXPZIUNYEZCE-CYBMUJFWSA-N |