5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3681-1132 |
| Compound Name: | 5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 418.21 |
| Molecular Formula: | C13 H11 I N2 O4 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)cc(c1OC)I |
| Stereo: | ACHIRAL |
| logP: | 2.7594 |
| logD: | 2.3338 |
| logSw: | -3.3029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.973 |
| InChI Key: | OIRRYGITYPHTDL-UHFFFAOYSA-N |