5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4998-2278 |
| Compound Name: | 5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C20 H15 F N2 O5 S |
| Smiles: | CCOc1cc2c(cc1\C=C1/C(NC(N(C1=O)c1cccc(c1)F)=S)=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.884 |
| logD: | 2.0435 |
| logSw: | -3.3834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.554 |
| InChI Key: | OUTKOYRAPBJKDY-UHFFFAOYSA-N |