2-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Chemical Structure Depiction of
2-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
2-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3681-3702 |
| Compound Name: | 2-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C22 H15 N3 O6 |
| Smiles: | Cc1cc(ccc1c1ccc(\C=C(/C#N)C(Nc2ccccc2C(O)=O)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2309 |
| logD: | 0.8137 |
| logSw: | -4.74 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.048 |
| InChI Key: | IMLAYWNCIXZNCO-UHFFFAOYSA-N |