5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3375-0357 |
| Compound Name: | 5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 307.28 |
| Molecular Formula: | C12 H9 N3 O5 S |
| Smiles: | COc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4663 |
| logD: | 1.0407 |
| logSw: | -2.4589 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.337 |
| InChI Key: | SSFPJUZTVXQACS-UHFFFAOYSA-N |