(5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | C508-0528 |
| Compound Name: | (5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 434.44 |
| Molecular Formula: | C18 H14 N2 O7 S2 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8611 |
| logD: | -0.2579 |
| logSw: | -3.5107 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.872 |
| InChI Key: | KKNDCMWAEOJKFR-UHFFFAOYSA-N |