methyl 4-[3-benzoyl-4-hydroxy-1-(2-hydroxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-benzoyl-4-hydroxy-1-(2-hydroxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
methyl 4-[3-benzoyl-4-hydroxy-1-(2-hydroxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Compound characteristics
| Compound ID: | 4616-7856 |
| Compound Name: | methyl 4-[3-benzoyl-4-hydroxy-1-(2-hydroxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C22 H21 N O6 |
| Smiles: | CC(CN1C(C(=C(C1=O)O)C(c1ccccc1)=O)c1ccc(cc1)C(=O)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2808 |
| logD: | 2.2791 |
| logSw: | -2.6634 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.75 |
| InChI Key: | JRQHPWJSRXMKDG-UHFFFAOYSA-N |