2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Chemical Structure Depiction of
2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Compound characteristics
| Compound ID: | Y041-4842 |
| Compound Name: | 2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C19 H25 N O3 |
| Smiles: | CCCCN1C(c2ccccc2C(C(O)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5916 |
| logD: | 0.8734 |
| logSw: | -3.4787 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.288 |
| InChI Key: | NSFNGIGNFUNVPH-INIZCTEOSA-N |