4-({[(3-ethoxypropyl)amino][4-(4-fluorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({[(3-ethoxypropyl)amino][4-(4-fluorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({[(3-ethoxypropyl)amino][4-(4-fluorophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0160 |
| Compound Name: | 4-({[(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/c1ccc(cc1)C(O)=O)N1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.8327 |
| logD: | 3.8327 |
| logSw: | -3.9216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.045 |
| InChI Key: | KTLQRWPKRHBLTD-UHFFFAOYSA-N |