2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Chemical Structure Depiction of
2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
Compound characteristics
| Compound ID: | Y040-6423 |
| Compound Name: | 2'-(2-methylpropyl)-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: | CC(C)CN1C(c2ccccc2C(C(O)=O)C12CCCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5693 |
| logD: | 0.8512 |
| logSw: | -3.5251 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.31 |
| InChI Key: | YDGATRMZEMWJAW-INIZCTEOSA-N |