2'-cyclopentyl-1'-oxo-N-[(pyridin-4-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-cyclopentyl-1'-oxo-N-[(pyridin-4-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-cyclopentyl-1'-oxo-N-[(pyridin-4-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0038 |
| Compound Name: | 2'-cyclopentyl-1'-oxo-N-[(pyridin-4-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C26 H31 N3 O2 |
| Smiles: | C1CCC2(CC1)C(C(NCc1ccncc1)=O)c1ccccc1C(N2C1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3571 |
| logD: | 3.3538 |
| logSw: | -3.7874 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.059 |
| InChI Key: | RHJOUYMNSBQYTA-QHCPKHFHSA-N |