5-(1-acetyl-5-phenyl-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-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1086 |
| Compound Name: | 5-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | CC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9174 |
| logD: | -2.2424 |
| logSw: | -1.8548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.52 |
| InChI Key: | PRTUFTQCQIPSKR-CYBMUJFWSA-N |