2-(dimethylamino)ethyl 3-{5-[(4-ethylphenyl)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-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
2-(dimethylamino)ethyl 3-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4125-0335 |
| Compound Name: | 2-(dimethylamino)ethyl 3-{5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 429 |
| Molecular Formula: | C19 H24 N2 O3 S2 |
| Salt: | HCl |
| Smiles: | CCc1ccc(/C=C2/C(N(CCC(=O)OCCN(C)C)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2159 |
| logD: | 1.8249 |
| logSw: | -3.2906 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 41.011 |
| InChI Key: | VRSIVSOELLXLLB-SSZFMOIBSA-N |