2-(dimethylamino)ethyl 4-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}butanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(dimethylamino)ethyl 4-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}butanoate--hydrogen chloride (1/1)
2-(dimethylamino)ethyl 4-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}butanoate--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 4125-0303 |
Compound Name: | 2-(dimethylamino)ethyl 4-{4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl}butanoate--hydrogen chloride (1/1) |
Molecular Weight: | 421 |
Molecular Formula: | C16 H20 N2 O3 S3 |
Salt: | HCl |
Smiles: | CN(C)CCOC(CCCN1C(/C(=C\c2cccs2)SC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9606 |
logD: | 0.5697 |
logSw: | -2.2625 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 42.029 |
InChI Key: | VGILNAVAMRIRBY-ACCUITESSA-N |