5-[(octadecylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(octadecylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(octadecylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8004-3835 |
| Compound Name: | 5-[(octadecylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 423.66 |
| Molecular Formula: | C23 H41 N3 O2 S |
| Smiles: | CCCCCCCCCCCCCCCCCCNC=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7184 |
| logD: | 6.43 |
| logSw: | -5.8148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.871 |
| InChI Key: | SOWGMLVBBPPTEU-UHFFFAOYSA-N |