3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid
Chemical Structure Depiction of
3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid
3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | G696-0453 |
| Compound Name: | 3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid |
| Molecular Weight: | 625.02 |
| Molecular Formula: | C27 H28 Cl F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C(c1ccc(cc1)F)N/C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3018 |
| logD: | 5.3018 |
| logSw: | -5.7413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.631 |
| InChI Key: | QWZJPXDLFDBRAG-UHFFFAOYSA-N |