3-({[4-(3-chlorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({[4-(3-chlorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({[4-(3-chlorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0080 |
| Compound Name: | 3-({[4-(3-chlorophenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 544.96 |
| Molecular Formula: | C22 H27 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.231 |
| logD: | 4.231 |
| logSw: | -4.2659 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.41 |
| InChI Key: | IPLLLAIQNHEHSJ-UHFFFAOYSA-N |