3-{[5-({5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Chemical Structure Depiction of
3-{[5-({5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
3-{[5-({5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | Y508-6729 |
| Compound Name: | 3-{[5-({5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C20 H15 Br N2 O4 S |
| Smiles: | C=CCOc1ccc(cc1/C=C1/C(N\C(=N/c2cccc(c2)C(O)=O)S1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2262 |
| logD: | 2.0326 |
| logSw: | -5.1456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.065 |
| InChI Key: | YFCQHXBEZXDDIC-UHFFFAOYSA-N |