2'-cyclohexyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-cyclohexyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-cyclohexyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J104-0223 |
| Compound Name: | 2'-cyclohexyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 438.61 |
| Molecular Formula: | C27 H38 N2 O3 |
| Smiles: | C1CCC(CC1)N1C(c2ccccc2C(C(NCC2CCOCC2)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7627 |
| logD: | 4.7627 |
| logSw: | -4.7667 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.365 |
| InChI Key: | ZCTUGNZMYNHNNM-DEOSSOPVSA-N |