methyl N-{2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl}-beta-alaninate
methyl N-{2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | Y043-3317 |
| Compound Name: | methyl N-{2'-[(furan-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl}-beta-alaninate |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C24 H28 N2 O5 |
| Smiles: | COC(CCNC(C1c2ccccc2C(N(Cc2ccco2)C12CCCCC2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9252 |
| logD: | 2.9252 |
| logSw: | -3.4474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.484 |
| InChI Key: | XVWBFFFXWZHKCG-NRFANRHFSA-N |