1-(3-chlorophenyl)-7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Chemical Structure Depiction of
1-(3-chlorophenyl)-7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
1-(3-chlorophenyl)-7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8020-2964 |
| Compound Name: | 1-(3-chlorophenyl)-7-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
| Molecular Weight: | 470.87 |
| Molecular Formula: | C23 H19 Cl N2 O7 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1CC(Nc2c(cn(c3cccc(c3)[Cl])c12)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7469 |
| logD: | -0.0402 |
| logSw: | -4.0859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.507 |
| InChI Key: | DJQZOOLIRMSAMO-CYBMUJFWSA-N |