3-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7979 |
| Compound Name: | 3-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C25 H26 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)c1c(C#N)c(NC(C2C3CCC(C=C3)C2C(O)=O)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4515 |
| logD: | 3.1263 |
| logSw: | -5.4155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.429 |
| InChI Key: | USOLBVYBTREFQK-UHFFFAOYSA-N |