4-[2-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Chemical Structure Depiction of
4-[2-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
4-[2-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Compound characteristics
| Compound ID: | 8010-7899 |
| Compound Name: | 4-[2-(2H-1,3-benzodioxol-5-yl)-3-benzoyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid |
| Molecular Weight: | 409.39 |
| Molecular Formula: | C22 H19 N O7 |
| Smiles: | C(CC(O)=O)CN1C(C(=C(C1=O)O)C(c1ccccc1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7293 |
| logD: | -1.0916 |
| logSw: | -2.2513 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.576 |
| InChI Key: | DOTKSMNGYIZNKK-IBGZPJMESA-N |