3-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7975 |
| Compound Name: | 3-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C22 H20 N2 O3 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NC(C2C3CC(C=C3)C2C(O)=O)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2442 |
| logD: | 1.919 |
| logSw: | -4.3824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.161 |
| InChI Key: | QGYCFTTWTKCJOW-UHFFFAOYSA-N |