3-{[4-(4-chlorophenoxy)phenyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[4-(4-chlorophenoxy)phenyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-{[4-(4-chlorophenoxy)phenyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-0824 |
| Compound Name: | 3-{[4-(4-chlorophenoxy)phenyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C22 H20 Cl N O4 |
| Smiles: | C1CC2C=CC1C(C2C(Nc1ccc(cc1)Oc1ccc(cc1)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7482 |
| logD: | 2.423 |
| logSw: | -4.7593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.598 |
| InChI Key: | JMJXZVUNVBQREH-UHFFFAOYSA-N |