3-({[(3-ethoxypropyl)amino][4-(4-fluorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({[(3-ethoxypropyl)amino][4-(4-fluorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({[(3-ethoxypropyl)amino][4-(4-fluorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | G696-0160 |
Compound Name: | 3-({[(3-ethoxypropyl)amino][4-(4-fluorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 542.53 |
Molecular Formula: | C23 H29 F N4 O3 |
Salt: | CF3COOH |
Smiles: | CCOCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 4.1017 |
logD: | 4.1017 |
logSw: | -3.9705 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.045 |
InChI Key: | NCYZIMWZBXUZOM-UHFFFAOYSA-N |