5-[5-(3,4-dimethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[5-(3,4-dimethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[5-(3,4-dimethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1684 |
| Compound Name: | 5-[5-(3,4-dimethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Smiles: | CCC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.196 |
| logD: | -2.7867 |
| logSw: | -2.336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.407 |
| InChI Key: | CXCVBOSZSBYFCI-GFCCVEGCSA-N |