N-[(2H-1,3-benzodioxol-5-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y044-3771 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C26 H30 N2 O4 |
| Smiles: | CCCCN1C(c2ccccc2C(C(NCc2ccc3c(c2)OCO3)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3294 |
| logD: | 4.3294 |
| logSw: | -4.0257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.775 |
| InChI Key: | RGWRMAFVMRRSLE-QHCPKHFHSA-N |