6-[3-hydroxy-5-(4-hydroxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[3-hydroxy-5-(4-hydroxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[3-hydroxy-5-(4-hydroxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4393-0045 |
| Compound Name: | 6-[3-hydroxy-5-(4-hydroxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C23 H22 N2 O8 |
| Smiles: | C(CCC(O)=O)CCN1C(C(=C(C1=O)O)C(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc(cc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1895 |
| logD: | -0.6386 |
| logSw: | -2.6331 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.459 |
| InChI Key: | YYHREMCVRFJEFP-HXUWFJFHSA-N |