ethyl 4-(4-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoyl)piperazine-1-carboxylate
ethyl 4-(4-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 4125-0705 |
| Compound Name: | ethyl 4-(4-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoyl)piperazine-1-carboxylate |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C22 H27 N3 O4 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CCCN1C(/C(=C/c2ccc(C)cc2)SC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.965 |
| logD: | 2.965 |
| logSw: | -3.2312 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 55.593 |
| InChI Key: | ABZQLYXZYWQTLP-UHFFFAOYSA-N |