5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
Compound ID: | D364-1648 |
Compound Name: | 5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
Molecular Weight: | 416.5 |
Molecular Formula: | C20 H24 N4 O4 S |
Smiles: | CCC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1ccc(cc1)OCC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.8095 |
logD: | -1.3504 |
logSw: | -2.4769 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.648 |
InChI Key: | PGVKLPHMRCVTIS-OAHLLOKOSA-N |