2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Chemical Structure Depiction of
2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Compound characteristics
| Compound ID: | Y041-4366 |
| Compound Name: | 2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | C1CCC2(CC1)C(C(O)=O)c1ccccc1C(N2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9301 |
| logD: | 1.2119 |
| logSw: | -3.8083 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.038 |
| InChI Key: | DERCLBUIRKNIEZ-IBGZPJMESA-N |