methyl 4-[3-acetyl-1-(3-bromo-4-methylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-acetyl-1-(3-bromo-4-methylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
methyl 4-[3-acetyl-1-(3-bromo-4-methylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Compound characteristics
| Compound ID: | 8013-0768 |
| Compound Name: | methyl 4-[3-acetyl-1-(3-bromo-4-methylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C21 H18 Br N O5 |
| Smiles: | CC(C1C(c2ccc(cc2)C(=O)OC)N(C(C=1O)=O)c1ccc(C)c(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8413 |
| logD: | 3.8394 |
| logSw: | -4.0133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.749 |
| InChI Key: | WZCKGUNFOTWRCE-GOSISDBHSA-N |