3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-4434 |
| Compound Name: | 3-{[2-(3-chlorophenyl)ethyl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 333.81 |
| Molecular Formula: | C18 H20 Cl N O3 |
| Smiles: | C1CC2C=CC1C(C2C(NCCc1cccc(c1)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6888 |
| logD: | 0.3636 |
| logSw: | -3.2193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.014 |
| InChI Key: | JLDWZGLMMQQRNA-UHFFFAOYSA-N |