methyl N-(2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
methyl N-(2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | J104-0121 |
| Compound Name: | methyl N-(2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C23 H32 N2 O4 |
| Smiles: | CCCCN1C(c2ccccc2C(C(NCCC(=O)OC)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3334 |
| logD: | 3.3334 |
| logSw: | -3.6721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.985 |
| InChI Key: | HQQUDAOUDDWITI-FQEVSTJZSA-N |