5-[1-acetyl-5-(3,4,5-trimethoxyphenyl)-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-[1-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1091 |
| Compound Name: | 5-[1-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C20 H24 N4 O6 S |
| Smiles: | CC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6659 |
| logD: | -2.4939 |
| logSw: | -1.5401 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.498 |
| InChI Key: | CIKRIZUSCCSFBC-CYBMUJFWSA-N |