(5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | C508-0531 |
| Compound Name: | (5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C17 H12 N2 O7 S2 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.4736 |
| logD: | -0.6453 |
| logSw: | -2.8159 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.292 |
| InChI Key: | QWLSTYUYOSTAGV-UHFFFAOYSA-N |