3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0082 |
| Compound Name: | 3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.98 |
| Molecular Formula: | C23 H29 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(/NCCCOC)=N/c1cccc(c1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.93 |
| logD: | 4.93 |
| logSw: | -4.7358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.109 |
| InChI Key: | HBWKVZSNJKULHM-UHFFFAOYSA-N |