2'-benzyl-1'-oxo-N-[(pyridin-3-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-benzyl-1'-oxo-N-[(pyridin-3-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
2'-benzyl-1'-oxo-N-[(pyridin-3-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J105-0067 |
| Compound Name: | 2'-benzyl-1'-oxo-N-[(pyridin-3-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C27 H27 N3 O2 |
| Smiles: | C1CCC2(C1)C(C(NCc1cccnc1)=O)c1ccccc1C(N2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.527 |
| logD: | 3.5246 |
| logSw: | -3.4444 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.927 |
| InChI Key: | ZMVGAKIDROKANV-DEOSSOPVSA-N |