5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1132 |
| Compound Name: | 5-{1-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C2=C(NC(N(C)C2=O)=S)O)=NN1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3427 |
| logD: | -1.6399 |
| logSw: | -2.8452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.141 |
| InChI Key: | POUZVIFGFATEQF-OAHLLOKOSA-N |