methyl N-(2'-cyclopentyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(2'-cyclopentyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
methyl N-(2'-cyclopentyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate
Compound characteristics
Compound ID: | J104-0113 |
Compound Name: | methyl N-(2'-cyclopentyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonyl)-beta-alaninate |
Molecular Weight: | 412.53 |
Molecular Formula: | C24 H32 N2 O4 |
Smiles: | COC(CCNC(C1c2ccccc2C(N(C2CCCC2)C12CCCCC2)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.129 |
logD: | 3.129 |
logSw: | -3.4496 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.323 |
InChI Key: | DGVIUIDUJMUIBO-NRFANRHFSA-N |