2-{2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl}benzoic acid
Chemical Structure Depiction of
2-{2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl}benzoic acid
2-{2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl}benzoic acid
Compound characteristics
| Compound ID: | IB07-9139 |
| Compound Name: | 2-{2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl}benzoic acid |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | CC(N1CCN(CC1)c1ccc(cc1)NC(Cc1ccccc1C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.35 |
| logD: | -0.91 |
| logSw: | -3.4 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.52 |
| InChI Key: | IZBFGKPQVGQUKN-UHFFFAOYSA-N |