6-hydroxy-3-methyl-5-[1-propanoyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-3-methyl-5-[1-propanoyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-5-[1-propanoyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1686 |
| Compound Name: | 6-hydroxy-3-methyl-5-[1-propanoyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C20 H24 N4 O6 S |
| Smiles: | CCC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2847 |
| logD: | -2.698 |
| logSw: | -2.3595 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.124 |
| InChI Key: | OOJMQISROHXJEP-GFCCVEGCSA-N |