4-{2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Chemical Structure Depiction of
4-{2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
4-{2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | Y505-4719 |
| Compound Name: | 4-{2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid |
| Molecular Weight: | 433.38 |
| Molecular Formula: | C22 H15 N3 O7 |
| Smiles: | COc1ccc(cc1c1ccc(\C=C(/C#N)C(Nc2ccc(cc2)C(O)=O)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2153 |
| logD: | 1.8201 |
| logSw: | -4.4207 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.376 |
| InChI Key: | AJPYDGGXZKBGJG-UHFFFAOYSA-N |