5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0471 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-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)c3cc(cc(c3)[Cl])[Cl])=S)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0815 |
| logD: | 2.0612 |
| logSw: | -4.7347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.344 |
| InChI Key: | RWXJSDBCBQKEFC-UHFFFAOYSA-N |