5-propanamido-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-propanamido-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-propanamido-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1749 |
| Compound Name: | 5-propanamido-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 535.44 |
| Molecular Formula: | C21 H22 F3 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1677 |
| logD: | 1.9171 |
| logSw: | -4.0696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.208 |
| InChI Key: | NOTGNFFKRXLPDU-UHFFFAOYSA-N |