4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0700 |
| Compound Name: | 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 564.51 |
| Molecular Formula: | C20 H23 F N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1cc(ccc1N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6786 |
| logD: | 0.5688 |
| logSw: | -3.1153 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.657 |
| InChI Key: | TURYUSYUKPADKP-UHFFFAOYSA-N |