4-{4-[acetyl(methyl)amino]anilino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{4-[acetyl(methyl)amino]anilino}-4-oxobut-2-enoic acid
4-{4-[acetyl(methyl)amino]anilino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 8006-6388 |
| Compound Name: | 4-{4-[acetyl(methyl)amino]anilino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 262.26 |
| Molecular Formula: | C13 H14 N2 O4 |
| Smiles: | CC(N(C)c1ccc(cc1)NC(\C=C/C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2676 |
| logD: | -4.1907 |
| logSw: | -1.6249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.88 |
| InChI Key: | ONQKZWNYKPAQNX-UHFFFAOYSA-N |