2'-(butan-2-yl)-1'-oxo-N-[(pyridin-2-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-(butan-2-yl)-1'-oxo-N-[(pyridin-2-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-(butan-2-yl)-1'-oxo-N-[(pyridin-2-yl)methyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y043-2256 |
| Compound Name: | 2'-(butan-2-yl)-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: | CCC(C)N1C(c2ccccc2C(C(NCc2ccccn2)=O)C12CCCCC2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9072 |
| logD: | 3.907 |
| logSw: | -3.9352 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.163 |
| InChI Key: | AIGLOUWVVIFQOB-UHFFFAOYSA-N |