4-[3-(4-bromobenzoyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[3-(4-bromobenzoyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[3-(4-bromobenzoyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5061-0146 |
| Compound Name: | 4-[3-(4-bromobenzoyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 545.39 |
| Molecular Formula: | C27 H21 Br N4 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C(C(=C(C1=O)O)C(c1ccc(cc1)[Br])=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8754 |
| logD: | 2.8715 |
| logSw: | -2.9234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.834 |
| InChI Key: | VLPXJWDEOYIMLQ-HSZRJFAPSA-N |