3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0154 |
| Compound Name: | 3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.01 |
| Molecular Formula: | C24 H31 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1cc(ccc1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2337 |
| logD: | 5.2337 |
| logSw: | -5.425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.744 |
| InChI Key: | DOZSCHHOOQUGLO-UHFFFAOYSA-N |