5-[1-acetyl-5-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1088 |
| Compound Name: | 5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)C1CC(C2=C(N(C)C(N(C)C2=O)=S)O)=NN1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2821 |
| logD: | -1.8778 |
| logSw: | -2.171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.644 |
| InChI Key: | JTMHSCPUTCKPRL-OAHLLOKOSA-N |