4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}butanoic acid
Chemical Structure Depiction of
4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}butanoic acid
4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}butanoic acid
Compound characteristics
| Compound ID: | 5622-0071 |
| Compound Name: | 4-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enamido}butanoic acid |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C18 H17 N3 O7 |
| Smiles: | C(CC(O)=O)CNC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0211 |
| logD: | -1.7998 |
| logSw: | -1.9661 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.033 |
| InChI Key: | QKWWNXIYMCZUFU-UHFFFAOYSA-N |