N-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl}-beta-alanine
N-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl}-beta-alanine
Compound characteristics
| Compound ID: | 5622-0016 |
| Compound Name: | N-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl}-beta-alanine |
| Molecular Weight: | 373.32 |
| Molecular Formula: | C17 H15 N3 O7 |
| Smiles: | C(CNC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccco1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4899 |
| logD: | -2.2058 |
| logSw: | -1.8893 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.033 |
| InChI Key: | YENWHBXQSZDNOE-UHFFFAOYSA-N |