dimethyl 2-[1-chloro-2-(2-hydroxyanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-chloro-2-(2-hydroxyanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-chloro-2-(2-hydroxyanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8019-6359 |
| Compound Name: | dimethyl 2-[1-chloro-2-(2-hydroxyanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 417.91 |
| Molecular Formula: | C15 H12 Cl N O5 S3 |
| Smiles: | COC(C1=C(C(=O)OC)SC(=C(C(Nc2ccccc2O)=S)[Cl])S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4144 |
| logD: | 4.3962 |
| logSw: | -4.1394 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.476 |
| InChI Key: | VRYGXZUVQGDWAL-UHFFFAOYSA-N |