2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Chemical Structure Depiction of
2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Compound characteristics
| Compound ID: | Y041-4966 |
| Compound Name: | 2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C20 H21 N O4 |
| Smiles: | C1CCC2(CC1)C(C(O)=O)c1ccccc1C(N2Cc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1835 |
| logD: | 0.4653 |
| logSw: | -3.3565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.787 |
| InChI Key: | ZIYUSOBSWLSTQF-KRWDZBQOSA-N |