3-(2-chlorobenzamido)-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(2-chlorobenzamido)-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-(2-chlorobenzamido)-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0041 |
| Compound Name: | 3-(2-chlorobenzamido)-4-{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(cc1NC(c1ccccc1[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1132 |
| logD: | 3.2188 |
| logSw: | -4.9088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.732 |
| InChI Key: | JWBAHWAQBNOPKE-UHFFFAOYSA-N |