4-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Chemical Structure Depiction of
4-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
4-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Compound characteristics
| Compound ID: | 4884-9124 |
| Compound Name: | 4-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid |
| Molecular Weight: | 429.4 |
| Molecular Formula: | C22 H20 F N O7 |
| Smiles: | COc1cc(ccc1O)C1C(=C(C(N1CCCC(O)=O)=O)O)C(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1484 |
| logD: | -1.6725 |
| logSw: | -2.2423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.639 |
| InChI Key: | SEIMYBCYAWBSIU-LJQANCHMSA-N |