5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3748-0029 |
| Compound Name: | 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 308.31 |
| Molecular Formula: | C13 H12 N2 O5 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.0311 |
| logD: | 0.6055 |
| logSw: | -2.1228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.366 |
| InChI Key: | PHWRKQAINYWMHT-UHFFFAOYSA-N |