3-[([4-(4-methoxyphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([4-(4-methoxyphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([4-(4-methoxyphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0518 |
| Compound Name: | 3-[([4-(4-methoxyphenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C24 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(\NCC1CCCO1)=N/c1cccc(c1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.641 |
| logD: | 0.4473 |
| logSw: | -3.8214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.153 |
| InChI Key: | ODRYGCSEHQUXFV-JOCHJYFZSA-N |