7-(2H-1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8020-0799 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
| Molecular Weight: | 410.81 |
| Molecular Formula: | C21 H15 Cl N2 O5 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)c2c(c(cn2c2cccc(c2)[Cl])C(O)=O)NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9389 |
| logD: | 0.1518 |
| logSw: | -4.2995 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.388 |
| InChI Key: | RMSMNXCTABSEOB-CQSZACIVSA-N |