[4-bromo-2-({3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
Chemical Structure Depiction of
[4-bromo-2-({3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
[4-bromo-2-({3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | Y500-1112 |
| Compound Name: | [4-bromo-2-({3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid |
| Molecular Weight: | 565.49 |
| Molecular Formula: | C28 H25 Br N2 O4 S |
| Smiles: | Cc1ccc(cc1C)/N=C1/N(C(/C(=C/c2cc(ccc2OCC(O)=O)[Br])S1)=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.0019 |
| logD: | 3.7649 |
| logSw: | -5.5841 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.222 |
| InChI Key: | XIHFAPMKZMOLPG-UHFFFAOYSA-N |