7-(2H-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-oxo-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)-1-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
7-(2H-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8020-3437 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
| Molecular Weight: | 394.36 |
| Molecular Formula: | C21 H15 F N2 O5 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)c2c(c(cn2c2cccc(c2)F)C(O)=O)NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3749 |
| logD: | -0.4123 |
| logSw: | -3.5055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.388 |
| InChI Key: | DBKICPFDDKSGQY-CQSZACIVSA-N |