3-({[4-(4-fluorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid
Chemical Structure Depiction of
3-({[4-(4-fluorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid
3-({[4-(4-fluorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid
Compound characteristics
| Compound ID: | G696-0088 |
| Compound Name: | 3-({[4-(4-fluorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid |
| Molecular Weight: | 528.5 |
| Molecular Formula: | C22 H27 F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.798 |
| logD: | 3.798 |
| logSw: | -3.8211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.41 |
| InChI Key: | MKACCXHOIUEGPD-UHFFFAOYSA-N |