N-[2-(4-methylbenzamido)-3-phenylprop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(4-methylbenzamido)-3-phenylprop-2-enoyl]-beta-alanine
N-[2-(4-methylbenzamido)-3-phenylprop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 5613-0122 |
| Compound Name: | N-[2-(4-methylbenzamido)-3-phenylprop-2-enoyl]-beta-alanine |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | Cc1ccc(cc1)C(NC(=C\c1ccccc1)\C(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8367 |
| logD: | -0.859 |
| logSw: | -2.1164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.073 |
| InChI Key: | FTLWSBOSABVFEE-UHFFFAOYSA-N |