5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8009-0346 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 421.26 |
| Molecular Formula: | C18 H10 Cl2 N2 O4 S |
| Smiles: | C1Oc2ccc(\C=C3/C(NC(N(C3=O)c3cccc(c3[Cl])[Cl])=S)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0093 |
| logD: | 2.0296 |
| logSw: | -4.6224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.043 |
| InChI Key: | VHJABYDVKVNFNH-UHFFFAOYSA-N |