6-{[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-{[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y202-7856 |
| Compound Name: | 6-{[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC1CC(C(CC=1C)C(Nc1nc(c2ccc(C)cc2C)c(C)s1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0629 |
| logD: | 2.7071 |
| logSw: | -4.4407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.475 |
| InChI Key: | IAJMHXAPLGFHOT-UHFFFAOYSA-N |