3-[({[(4-methylphenyl)methyl]amino}[4-(pyridin-2-yl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({[(4-methylphenyl)methyl]amino}[4-(pyridin-2-yl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({[(4-methylphenyl)methyl]amino}[4-(pyridin-2-yl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5857 |
| Compound Name: | 3-[({[(4-methylphenyl)methyl]amino}[4-(pyridin-2-yl)piperazin-1-yl]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 543.55 |
| Molecular Formula: | C25 H27 N5 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CN\C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2ccccn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8074 |
| logD: | 4.8074 |
| logSw: | -4.2991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.466 |
| InChI Key: | DBOIQBIVFFCELT-UHFFFAOYSA-N |