5-{5-[4-(dimethylamino)phenyl]-1-propanoyl-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-{5-[4-(dimethylamino)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-{5-[4-(dimethylamino)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1654 |
| Compound Name: | 5-{5-[4-(dimethylamino)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CCC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1ccc(cc1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5305 |
| logD: | -1.6293 |
| logSw: | -2.0766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.33 |
| InChI Key: | XKGYJQPLCNBWGG-OAHLLOKOSA-N |