6-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 8012-2121 |
| Compound Name: | 6-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C21 H26 N2 O7 |
| Smiles: | CC(C)(C)C(C1C(c2ccc(cc2)[N+]([O-])=O)N(CCCCCC(O)=O)C(C=1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6011 |
| logD: | -0.2271 |
| logSw: | -2.8369 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.114 |
| InChI Key: | JWVKTDUWXSYLSD-QGZVFWFLSA-N |