2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Chemical Structure Depiction of
2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3681-3699 |
| Compound Name: | 2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid |
| Molecular Weight: | 403.35 |
| Molecular Formula: | C21 H13 N3 O6 |
| Smiles: | C(=C(/C#N)C(Nc1ccccc1C(O)=O)=O)/c1ccc(c2cccc(c2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7728 |
| logD: | 0.3556 |
| logSw: | -4.4749 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.048 |
| InChI Key: | AZKUJIMMJRQLBX-UHFFFAOYSA-N |