5-[(3,4-dimethylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3,4-dimethylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3,4-dimethylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8003-4199 |
| Compound Name: | 5-[(3,4-dimethylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 275.33 |
| Molecular Formula: | C13 H13 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)NC=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5298 |
| logD: | 2.0962 |
| logSw: | -2.9191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.227 |
| InChI Key: | QUBHKZKDXIZSCF-UHFFFAOYSA-N |