N-[2-(4-bromobenzamido)-3-phenylprop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(4-bromobenzamido)-3-phenylprop-2-enoyl]-beta-alanine
N-[2-(4-bromobenzamido)-3-phenylprop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 5623-0047 |
| Compound Name: | N-[2-(4-bromobenzamido)-3-phenylprop-2-enoyl]-beta-alanine |
| Molecular Weight: | 417.26 |
| Molecular Formula: | C19 H17 Br N2 O4 |
| Smiles: | C(CNC(/C(=C/c1ccccc1)NC(c1ccc(cc1)[Br])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2472 |
| logD: | -0.4485 |
| logSw: | -2.7771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.073 |
| InChI Key: | LDMKCCVDAFHYRH-UHFFFAOYSA-N |