5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8004-5390 |
| Compound Name: | 5-[(2-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 307.28 |
| Molecular Formula: | C12 H9 N3 O5 S |
| Smiles: | COc1ccc(cc1C=C1C(NC(NC1=O)=S)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9987 |
| logD: | 1.7371 |
| logSw: | -2.8621 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.638 |
| InChI Key: | JHJWQGKGIFQZKO-UHFFFAOYSA-N |