4-{[5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Chemical Structure Depiction of
4-{[5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
4-{[5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | Y508-6718 |
| Compound Name: | 4-{[5-({2-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid |
| Molecular Weight: | 489.34 |
| Molecular Formula: | C21 H17 Br N2 O5 S |
| Smiles: | COc1cc(/C=C2/C(N\C(=N/c3ccc(cc3)C(O)=O)S2)=O)c(cc1OCC=C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8462 |
| logD: | 0.4561 |
| logSw: | -4.0572 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.696 |
| InChI Key: | VULKGFSIYNJQCE-UHFFFAOYSA-N |