methyl N-(1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
methyl N-(1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | J104-0021 |
| Compound Name: | methyl N-(1'-oxo-2'-phenyl-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | COC(CCNC(C1c2ccccc2C(N(c2ccccc2)C12CCCCC2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.959 |
| logD: | 2.959 |
| logSw: | -3.4877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.124 |
| InChI Key: | JRKFRUSCTASLEA-QFIPXVFZSA-N |