methyl 6-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Chemical Structure Depiction of
methyl 6-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
methyl 6-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Compound characteristics
| Compound ID: | 3643-3113 |
| Compound Name: | methyl 6-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C17 H18 N2 O5 S2 |
| Smiles: | COC(CCCCCN1C(/C(=C\c2cccc(c2)[N+]([O-])=O)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4599 |
| logD: | 3.4599 |
| logSw: | -3.831 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 70.653 |
| InChI Key: | ZQROBGUYCRPNOA-UHFFFAOYSA-N |