4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobutanoic acid
4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8006-7148 |
| Compound Name: | 4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobutanoic acid |
| Molecular Weight: | 372.22 |
| Molecular Formula: | C18 H14 Br N O3 |
| Smiles: | C(CC(Nc1ccccc1C#Cc1ccc(cc1)[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.836 |
| logD: | 0.8866 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.802 |
| InChI Key: | GPTPRSLECCEYTN-UHFFFAOYSA-N |