7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Chemical Structure Depiction of
7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8020-3447 |
| Compound Name: | 7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
| Molecular Weight: | 504.42 |
| Molecular Formula: | C24 H19 F3 N2 O7 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1CC(Nc2c(cn(c3cccc(c3)C(F)(F)F)c12)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.964 |
| logD: | 0.1769 |
| logSw: | -4.1429 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.507 |
| InChI Key: | CZTBNHSCSYUMQA-CYBMUJFWSA-N |