6-hydroxy-1,3-dimethyl-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-1,3-dimethyl-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-1,3-dimethyl-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1652 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C21 H26 N4 O6 S |
| Smiles: | CCC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1ccc(c(c1OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.366 |
| logD: | -1.7939 |
| logSw: | -2.124 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.59 |
| InChI Key: | YSZRBAINEZRFFA-CYBMUJFWSA-N |