dimethyl 2-[2-(benzylamino)-1-chloro-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2-(benzylamino)-1-chloro-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[2-(benzylamino)-1-chloro-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8019-6363 |
| Compound Name: | dimethyl 2-[2-(benzylamino)-1-chloro-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 415.93 |
| Molecular Formula: | C16 H14 Cl N O4 S3 |
| Smiles: | COC(C1=C(C(=O)OC)SC(=C(C(NCc2ccccc2)=S)[Cl])S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1229 |
| logD: | 4.1222 |
| logSw: | -4.405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.948 |
| InChI Key: | FIYPFSSBNDSOQL-UHFFFAOYSA-N |