2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
Chemical Structure Depiction of
2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
Compound characteristics
Compound ID: | 6322-0345 |
Compound Name: | 2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid |
Molecular Weight: | 452.37 |
Molecular Formula: | C20 H22 Br N O4 S |
Smiles: | CCOc1cc(cc(c1OCc1ccccc1C)[Br])C1NC(CS1)C(O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.644 |
logD: | 0.1816 |
logSw: | -3.7286 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.224 |
InChI Key: | MKHFUVFCQDZCDM-UHFFFAOYSA-N |