4-[(5-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[(5-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
4-[(5-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | Y508-6687 |
| Compound Name: | 4-[(5-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 488.31 |
| Molecular Formula: | C20 H14 Br N3 O5 S |
| Smiles: | COc1cc(/C=C2/C(N\C(=N/c3ccc(cc3)C(O)=O)S2)=O)cc(c1OCC#N)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.151 |
| logD: | -0.2391 |
| logSw: | -3.4896 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.274 |
| InChI Key: | ZEFZIYCGDPREGU-UHFFFAOYSA-N |