3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1718 |
| Compound Name: | 3-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)OCC)N(C(CC)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4086 |
| logD: | -0.5741 |
| logSw: | -3.4314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.482 |
| InChI Key: | VZHMVPDRUJBFON-QGZVFWFLSA-N |