7-(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-(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-(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: | 8020-3438 |
| Compound Name: | 7-(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: | 444.37 |
| Molecular Formula: | C22 H15 F3 N2 O5 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)c2c(c(cn2c2cccc(c2)C(F)(F)F)C(O)=O)NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.156 |
| logD: | 0.3689 |
| logSw: | -4.1691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.388 |
| InChI Key: | JUDLHKIGAXIEKL-CQSZACIVSA-N |