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 |