3-butyl-5-{5-[4-(diethylamino)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-5-{5-[4-(diethylamino)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-5-{5-[4-(diethylamino)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1725 |
| Compound Name: | 3-butyl-5-{5-[4-(diethylamino)phenyl]-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C24 H33 N5 O3 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)N(CC)CC)N(C(CC)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8501 |
| logD: | -0.1326 |
| logSw: | -3.681 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.095 |
| InChI Key: | OHURKDZVUPREGF-LJQANCHMSA-N |