5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4299-0357 |
| Compound Name: | 5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | CC1C(/C=C2/C(NC(N(C2=O)c2ccc(C)cc2)=S)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4605 |
| logD: | 1.8139 |
| logSw: | -2.9268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.848 |
| InChI Key: | WAVCZCZIHBICOQ-KRWDZBQOSA-N |