1-(4-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4299-0678 |
| Compound Name: | 1-(4-ethoxyphenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-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: | CCOc1ccc(cc1)N1C(C(=C/C2C(C)=NN(C2=O)c2ccccc2)\C(NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4061 |
| logD: | 1.7594 |
| logSw: | -2.7919 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.972 |
| InChI Key: | ATJHOEXCCSPXCB-SFHVURJKSA-N |