1-(3-ethoxyphenyl)-5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-ethoxyphenyl)-5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-ethoxyphenyl)-5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4058-0131 |
| Compound Name: | 1-(3-ethoxyphenyl)-5-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | CCOc1cccc(c1)N1C(C(=C/c2c(C)nn(c3ccccc3)c2O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5932 |
| logD: | 0.3409 |
| logSw: | -2.9458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.202 |
| InChI Key: | XZLOXJUCWVOVEJ-UHFFFAOYSA-N |