2'-cyclohexyl-1'-oxo-N-[2-(pyridin-4-yl)ethyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-cyclohexyl-1'-oxo-N-[2-(pyridin-4-yl)ethyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-cyclohexyl-1'-oxo-N-[2-(pyridin-4-yl)ethyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0253 |
| Compound Name: | 2'-cyclohexyl-1'-oxo-N-[2-(pyridin-4-yl)ethyl]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 445.61 |
| Molecular Formula: | C28 H35 N3 O2 |
| Smiles: | C1CCC(CC1)N1C(c2ccccc2C(C(NCCc2ccncc2)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1165 |
| logD: | 4.0716 |
| logSw: | -4.327 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.535 |
| InChI Key: | QUJPPQMJCKVNHY-VWLOTQADSA-N |