3-[([4-(2,3-dimethylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(2,3-dimethylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(2,3-dimethylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0509 |
| Compound Name: | 3-[([4-(2,3-dimethylphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550.58 |
| Molecular Formula: | C25 H32 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(\NCC1CCCO1)=N/c1cccc(c1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6606 |
| logD: | 1.467 |
| logSw: | -4.2507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.308 |
| InChI Key: | XPMNNQXRYNHIMO-JOCHJYFZSA-N |