N-{2-[(furan-2-carbonyl)amino]-3-phenylprop-2-enoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(furan-2-carbonyl)amino]-3-phenylprop-2-enoyl}-beta-alanine
N-{2-[(furan-2-carbonyl)amino]-3-phenylprop-2-enoyl}-beta-alanine
Compound characteristics
| Compound ID: | 5622-0079 |
| Compound Name: | N-{2-[(furan-2-carbonyl)amino]-3-phenylprop-2-enoyl}-beta-alanine |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | C(CNC(/C(=C/c1ccccc1)NC(c1ccco1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6858 |
| logD: | -2.0098 |
| logSw: | -1.5077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.652 |
| InChI Key: | KYCKWRILHUFZMA-UHFFFAOYSA-N |