3-butyl-6-hydroxy-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
3-butyl-6-hydroxy-5-[1-propanoyl-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-6-hydroxy-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: | D364-1722 |
| Compound Name: | 3-butyl-6-hydroxy-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: | 490.58 |
| Molecular Formula: | C23 H30 N4 O6 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(c(c2OC)OC)OC)N(C(CC)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9651 |
| logD: | -1.0176 |
| logSw: | -3.3041 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.423 |
| InChI Key: | HCPKWHPINOAGLO-OAHLLOKOSA-N |