3-[(2-phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(2-phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-[(2-phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-0076 |
| Compound Name: | 3-[(2-phenylethyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C18 H21 N O3 |
| Smiles: | C1CC2C=CC1C(C2C(NCCc1ccccc1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0893 |
| logD: | -0.2359 |
| logSw: | -2.4864 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.014 |
| InChI Key: | NEISDTGMCMNXAJ-UHFFFAOYSA-N |