benzyl N-{3-(4-chlorophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alaninate
Chemical Structure Depiction of
benzyl N-{3-(4-chlorophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alaninate
benzyl N-{3-(4-chlorophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alaninate
Compound characteristics
| Compound ID: | 3631-0245 |
| Compound Name: | benzyl N-{3-(4-chlorophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alaninate |
| Molecular Weight: | 452.89 |
| Molecular Formula: | C24 H21 Cl N2 O5 |
| Smiles: | C(CNC(/C(=C\c1ccc(cc1)[Cl])NC(c1ccco1)=O)=O)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7167 |
| logD: | 2.8334 |
| logSw: | -4.6341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.53 |
| InChI Key: | SBVSMSKEPREHFG-UHFFFAOYSA-N |