5-benzamido-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-benzamido-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-benzamido-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2300 |
| Compound Name: | 5-benzamido-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 590.53 |
| Molecular Formula: | C26 H25 F N4 O4 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1CC(Nc1ccc(cc1)F)=O)c1ccc(cc1C(O)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.156 |
| logD: | 1.9053 |
| logSw: | -4.203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.579 |
| InChI Key: | VENDTAMKTFFCHV-UHFFFAOYSA-N |