2'-butyl-1'-oxo-N-[(pyridin-2-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-butyl-1'-oxo-N-[(pyridin-2-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-butyl-1'-oxo-N-[(pyridin-2-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0081 |
| Compound Name: | 2'-butyl-1'-oxo-N-[(pyridin-2-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | CCCCN1C(c2ccccc2C(C(NCc2ccccn2)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0082 |
| logD: | 4.008 |
| logSw: | -4.0334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.836 |
| InChI Key: | XUMREZKDQURCOM-QFIPXVFZSA-N |