2'-(2-methylpropyl)-1'-oxo-N-[(pyridin-3-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-(2-methylpropyl)-1'-oxo-N-[(pyridin-3-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-(2-methylpropyl)-1'-oxo-N-[(pyridin-3-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0100 |
| Compound Name: | 2'-(2-methylpropyl)-1'-oxo-N-[(pyridin-3-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: | CC(C)CN1C(c2ccccc2C(C(NCc2cccnc2)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.668 |
| logD: | 3.6656 |
| logSw: | -3.6644 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.833 |
| InChI Key: | PHXWINRXXMLPMP-QFIPXVFZSA-N |