3-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
3-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 3141-0355 |
| Compound Name: | 3-[3-(4-bromobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 538.35 |
| Molecular Formula: | C26 H20 Br N O7 |
| Smiles: | COc1ccc(cc1OC)C1C(=C(C(N1c1cccc(c1)C(O)=O)=O)O)C(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4859 |
| logD: | 1.8007 |
| logSw: | -4.424 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.884 |
| InChI Key: | DDVXBJCJMIBODN-JOCHJYFZSA-N |