6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-1195 |
| Compound Name: | 6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C23 H24 N2 O4 S |
| Smiles: | CC1CC(C(CC=1C)C(Nc1c(C#N)c(c2ccc(cc2)OC)c(C)s1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1539 |
| logD: | 1.7981 |
| logSw: | -4.3418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.053 |
| InChI Key: | BQOVXFMBMZTDNZ-UHFFFAOYSA-N |