5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4052-3945 |
| Compound Name: | 5-[2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 358.38 |
| Molecular Formula: | C15 H14 N6 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NN=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5205 |
| logD: | -2.4707 |
| logSw: | -1.7789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.982 |
| InChI Key: | BRCQJROTFPKKLY-UHFFFAOYSA-N |