2-(dimethylamino)ethyl 3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(dimethylamino)ethyl 3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
2-(dimethylamino)ethyl 3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2110-0377 |
| Compound Name: | 2-(dimethylamino)ethyl 3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 414.97 |
| Molecular Formula: | C18 H22 N2 O3 S2 |
| Salt: | HCl |
| Smiles: | Cc1ccc(/C=C2/C(N(CCC(=O)OCCN(C)C)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7086 |
| logD: | 1.3176 |
| logSw: | -2.9733 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 41.011 |
| InChI Key: | JVQMGRFULLEKQR-QINSGFPZSA-N |