3-[([4-(3-chlorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid
Chemical Structure Depiction of
3-[([4-(3-chlorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid
3-[([4-(3-chlorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | G696-0508 |
| Compound Name: | 3-[([4-(3-chlorophenyl)piperazin-1-yl]{[(oxolan-2-yl)methyl]amino}methylidene)amino]benzoic acid |
| Molecular Weight: | 556.97 |
| Molecular Formula: | C23 H27 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN/C(=N/c2cccc(c2)C(O)=O)N2CCN(CC2)c2cccc(c2)[Cl])OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1206 |
| logD: | 0.927 |
| logSw: | -4.2915 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.609 |
| InChI Key: | SSTQNBNBIALZAP-OAQYLSRUSA-N |