6-({5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-({5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
6-({5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
Compound characteristics
Compound ID: | Y202-7638 |
Compound Name: | 6-({5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid |
Molecular Weight: | 398.52 |
Molecular Formula: | C22 H26 N2 O3 S |
Smiles: | CC(C)Cc1ccc(cc1)c1c(C)sc(NC(C2CC=CCC2C(O)=O)=O)n1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.3931 |
logD: | 3.0373 |
logSw: | -5.1832 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.475 |
InChI Key: | WCAYKVUDNCORBO-UHFFFAOYSA-N |