5-[(2,4-dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2,4-dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2,4-dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8003-4108 |
| Compound Name: | 5-[(2,4-dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 316.16 |
| Molecular Formula: | C11 H7 Cl2 N3 O2 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)Nc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8905 |
| logD: | 2.271 |
| logSw: | -3.4604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.529 |
| InChI Key: | QPHXRNMHLAIJJB-UHFFFAOYSA-N |