4-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
4-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Compound characteristics
Compound ID: | 8009-1630 |
Compound Name: | 4-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid |
Molecular Weight: | 386.41 |
Molecular Formula: | C23 H18 N2 O4 |
Smiles: | Cc1ccc(cc1C)NC(C(=C\c1ccc(c2ccc(cc2)C(O)=O)o1)\C#N)=O |
Stereo: | ACHIRAL |
logP: | 5.5729 |
logD: | 1.8451 |
logSw: | -5.2901 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.364 |
InChI Key: | MTORWNWKELZKSC-UHFFFAOYSA-N |