AC1LYFXK
5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid
Also Known As: 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid|(E)-5-(3-(3-((3-bromophenyl)amino)-2-cyano-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid|5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid|5-{3-[(E)-3-(3-BROMOANILINO)-2-CYANO-3-OXO-1-PROPENYL]-2,5-DIMETHYL-1H-PYRROL-1-YL}-2-CHLOROBENZOIC ACID
| Molecular Formula | C23H17BrClN3O3 |
|---|---|
| Molecular Weight | 497.0142 g/mol |
| LogP | 5.75392 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.0142 |
| Monoisotopic Mass | 497.0142 |
| Heavy Atoms | 31 |
| Complexity | 1271.5565 |
Chemical Identifiers
| CAS Number | 359798-80-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)Br |
Product Overview
AC1LYFXK (CAS 359798-80-4), with molecular formula C23H17BrClN3O3 and molecular weight 497.0142 g/mol. IUPAC: 5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid.