5-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-2-chlorobenzoic acid
5-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 2150-0541 |
| Compound Name: | 5-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-2-chlorobenzoic acid |
| Molecular Weight: | 510.77 |
| Molecular Formula: | C25 H17 Br Cl N O4 |
| Smiles: | COc1ccc(\C=C2/C=C(c3ccccc3)N(C2=O)c2ccc(c(c2)C(O)=O)[Cl])cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.6907 |
| logD: | 2.0842 |
| logSw: | -5.6016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.086 |
| InChI Key: | SGTOBEYKWSSHAZ-UHFFFAOYSA-N |