3-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-4-chlorobenzoic acid
Chemical Structure Depiction of
3-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-4-chlorobenzoic acid
3-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-4-chlorobenzoic acid
Compound characteristics
Compound ID: | 3970-1473 |
Compound Name: | 3-{3-[(3-bromo-4-methoxyphenyl)methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl}-4-chlorobenzoic acid |
Molecular Weight: | 510.77 |
Molecular Formula: | C25 H17 Br Cl N O4 |
Smiles: | COc1ccc(\C=C2/C=C(c3ccccc3)N(C2=O)c2cc(ccc2[Cl])C(O)=O)cc1[Br] |
Stereo: | ACHIRAL |
logP: | 5.9723 |
logD: | 3.4236 |
logSw: | -5.7547 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.785 |
InChI Key: | NFMHWXJQKXNPNT-UHFFFAOYSA-N |