2'-butyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-butyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
2'-butyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y044-3753 |
| Compound Name: | 2'-butyl-N-[(oxan-4-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C24 H34 N2 O3 |
| Smiles: | CCCCN1C(c2ccccc2C(C(NCC2CCOCC2)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8795 |
| logD: | 3.8795 |
| logSw: | -3.9748 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.76 |
| InChI Key: | ZOULDLURFKCWEC-NRFANRHFSA-N |