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 |