2-(dimethylamino)ethyl 3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(dimethylamino)ethyl 3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
2-(dimethylamino)ethyl 3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3793-4469 |
| Compound Name: | 2-(dimethylamino)ethyl 3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 479.84 |
| Molecular Formula: | C17 H19 Br N2 O3 S2 |
| Salt: | HCl |
| Smiles: | CN(C)CCOC(CCN1C(/C(=C/c2cccc(c2)[Br])SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0675 |
| logD: | 1.6765 |
| logSw: | -3.3195 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 41.011 |
| InChI Key: | VHGWZOGCWPNMEG-KAMYIIQDSA-N |