5-[1-acetyl-5-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
Compound ID: | D364-1125 |
Compound Name: | 5-[1-acetyl-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
Molecular Weight: | 404.44 |
Molecular Formula: | C18 H20 N4 O5 S |
Smiles: | CC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1cc(ccc1OC)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.1954 |
logD: | -2.7873 |
logSw: | -2.3112 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.316 |
InChI Key: | IBZVLSSSNVKULC-CYBMUJFWSA-N |