2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2298 |
| Compound Name: | 2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 604.56 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6321 |
| logD: | 2.3814 |
| logSw: | -4.29 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.579 |
| InChI Key: | WZVNPFVABGGYHL-UHFFFAOYSA-N |