4-{5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
4-{5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | Y510-3725 |
| Compound Name: | 4-{5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C22 H16 N2 O5 |
| Smiles: | COc1ccc(cc1)NC(C(=C/c1ccc(c2ccc(cc2)C(O)=O)o1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5678 |
| logD: | 0.84 |
| logSw: | -4.3515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.908 |
| InChI Key: | QDNYEBCTJBVXHC-UHFFFAOYSA-N |