1-(3,5-dimethylphenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3,5-dimethylphenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4299-0352 |
| Compound Name: | 1-(3,5-dimethylphenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 452.27 |
| Molecular Formula: | C17 H13 I N2 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C/c2ccc(o2)I)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1963 |
| logD: | 4.1743 |
| logSw: | -4.3486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.259 |
| InChI Key: | CHTNSHZXFIWSQO-UHFFFAOYSA-N |