6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohex-3-ene-1-carboxylic acid
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y206-3295 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 285.34 |
| Molecular Formula: | C17 H19 N O3 |
| Smiles: | C1C=CCC(C1C(O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3368 |
| logD: | -0.0191 |
| logSw: | -2.7212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.149 |
| InChI Key: | ZEKURYLVZVODDD-UHFFFAOYSA-N |