6-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4393-0012 |
| Compound Name: | 6-[3-(4-fluorobenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 457.45 |
| Molecular Formula: | C24 H24 F N O7 |
| Smiles: | COc1cc(ccc1O)C1C(=C(C(N1CCCCCC(O)=O)=O)O)C(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1585 |
| logD: | -0.6697 |
| logSw: | -2.6182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.639 |
| InChI Key: | BEBZYXCZDRCUIG-OAQYLSRUSA-N |