2-{5-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid
Chemical Structure Depiction of
2-{5-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid
2-{5-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid
Compound characteristics
| Compound ID: | 3453-0015 |
| Compound Name: | 2-{5-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid |
| Molecular Weight: | 456.88 |
| Molecular Formula: | C17 H13 Cl N2 O7 S2 |
| Smiles: | C(CC(O)=O)C(C(O)=O)N1C(/C(=C/C(=C/c2ccc(cc2)[N+]([O-])=O)[Cl])SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0403 |
| logD: | -1.0985 |
| logSw: | -2.7778 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.813 |
| InChI Key: | CSOHAXDLWXFPFP-LBPRGKRZSA-N |