6-{[2-(3-chlorophenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-{[2-(3-chlorophenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
6-{[2-(3-chlorophenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y204-2866 |
| Compound Name: | 6-{[2-(3-chlorophenyl)ethyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 307.77 |
| Molecular Formula: | C16 H18 Cl N O3 |
| Smiles: | C1C=CCC(C1C(O)=O)C(NCCc1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3717 |
| logD: | 0.0158 |
| logSw: | -2.943 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.093 |
| InChI Key: | SPBDDZCGBICXSV-UHFFFAOYSA-N |