2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2299 |
| Compound Name: | 2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.56 |
| Molecular Formula: | C24 H23 F N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1CC(Nc1ccc(cc1)F)=O)c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1736 |
| logD: | 1.923 |
| logSw: | -4.1472 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.598 |
| InChI Key: | YJJNTTIGKSGYND-UHFFFAOYSA-N |