N-{3-(4-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine
Chemical Structure Depiction of
N-{3-(4-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine
N-{3-(4-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine
Compound characteristics
| Compound ID: | 5622-0073 |
| Compound Name: | N-{3-(4-bromophenyl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine |
| Molecular Weight: | 407.22 |
| Molecular Formula: | C17 H15 Br N2 O5 |
| Smiles: | C(CNC(/C(=C/c1ccc(cc1)[Br])NC(c1ccco1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5154 |
| logD: | -1.1802 |
| logSw: | -1.7787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.652 |
| InChI Key: | KIFRZNMGJFNNIM-UHFFFAOYSA-N |