6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4393-0041 |
| Compound Name: | 6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 482.45 |
| Molecular Formula: | C24 H22 N2 O9 |
| Smiles: | C(CCC(O)=O)CCN1C(C(=C(C1=O)O)C(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7701 |
| logD: | -0.0581 |
| logSw: | -3.145 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.958 |
| InChI Key: | IRXLKVGIXLFTIB-OAQYLSRUSA-N |