5-[1-acetyl-5-(4-ethoxyphenyl)-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-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1123 |
| Compound Name: | 5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C18 H20 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)C1CC(C2=C(NC(N(C)C2=O)=S)O)=NN1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3735 |
| logD: | -2.6092 |
| logSw: | -2.284 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.265 |
| InChI Key: | CMPMRVKPIGWZQG-CQSZACIVSA-N |