3-{[(benzylamino){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[(benzylamino){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
3-{[(benzylamino){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5708 |
| Compound Name: | 3-{[(benzylamino){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.53 |
| Molecular Formula: | C26 H25 F3 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C(c1ccccc1)N\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5171 |
| logD: | 5.5171 |
| logSw: | -5.7543 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.955 |
| InChI Key: | YNEKTWJJJJHGLH-UHFFFAOYSA-N |