4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoic acid
4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoic acid
Compound characteristics
| Compound ID: | 3379-2174 |
| Compound Name: | 4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}benzoic acid |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C21 H15 N3 O7 |
| Smiles: | C(=C(/C(Nc1ccc(cc1)C(O)=O)=O)NC(c1ccco1)=O)/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3216 |
| logD: | 0.9264 |
| logSw: | -3.7063 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.622 |
| InChI Key: | YQWGMVMGLFRKID-UHFFFAOYSA-N |