1-(3-chlorophenyl)-7-(4,7-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-(4,7-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-(4,7-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: | 8020-2965 |
| Compound Name: | 1-(3-chlorophenyl)-7-(4,7-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: | COc1cc(C2CC(Nc3c(cn(c4cccc(c4)[Cl])c23)C(O)=O)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5008 |
| logD: | -0.2863 |
| logSw: | -3.7964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.104 |
| InChI Key: | NMSPYIDYNXTLBT-CYBMUJFWSA-N |