4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobut-2-enoic acid
4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 8006-6623 |
| Compound Name: | 4-{2-[(4-bromophenyl)ethynyl]anilino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 370.2 |
| Molecular Formula: | C18 H12 Br N O3 |
| Smiles: | C(=C\C(Nc1ccccc1C#Cc1ccc(cc1)[Br])=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.879 |
| logD: | 0.4206 |
| logSw: | -4.5754 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.802 |
| InChI Key: | CMZACEALZURUGE-UHFFFAOYSA-N |