5-(3-chlorobenzamido)-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(3-chlorobenzamido)-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(3-chlorobenzamido)-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2412 |
| Compound Name: | 5-(3-chlorobenzamido)-2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.95 |
| Molecular Formula: | C25 H23 Cl F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)F)c1ccc(cc1C(O)=O)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.955 |
| logD: | 2.7044 |
| logSw: | -4.6615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.43 |
| InChI Key: | FFEADQSQATUCOW-UHFFFAOYSA-N |