3-[([4-(4-acetylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid
Chemical Structure Depiction of
3-[([4-(4-acetylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid
3-[([4-(4-acetylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | G696-0429 |
| Compound Name: | 3-[([4-(4-acetylphenyl)piperazin-1-yl]{[(4-fluorophenyl)methyl]amino}methylidene)amino]benzoic acid |
| Molecular Weight: | 588.56 |
| Molecular Formula: | C27 H27 F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(\NCc1ccc(cc1)F)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4091 |
| logD: | 4.4091 |
| logSw: | -4.1621 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.782 |
| InChI Key: | UVXADDJRHJKBFR-UHFFFAOYSA-N |