3-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0526 |
| Compound Name: | 3-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C17 H20 N4 O2 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccccc2)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6245 |
| logD: | -1.5547 |
| logSw: | -3.0281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.059 |
| InChI Key: | MDQRARYGSCDUJV-GFCCVEGCSA-N |