methyl 4-{3-benzoyl-1-[3-(hexyloxy)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-benzoyl-1-[3-(hexyloxy)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{3-benzoyl-1-[3-(hexyloxy)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | 8014-2041 |
| Compound Name: | methyl 4-{3-benzoyl-1-[3-(hexyloxy)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C31 H31 N O6 |
| Smiles: | CCCCCCOc1cccc(c1)N1C(C(=C(C1=O)O)C(c1ccccc1)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6986 |
| logD: | 6.6973 |
| logSw: | -5.5637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.807 |
| InChI Key: | ZTPYXHMSKICKHL-MHZLTWQESA-N |