5-(4-methylbenzamido)-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-methylbenzamido)-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
5-(4-methylbenzamido)-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0478 |
| Compound Name: | 5-(4-methylbenzamido)-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 557.57 |
| Molecular Formula: | C27 H29 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)c1ccc(cc1C(O)=O)NC(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5764 |
| logD: | 3.3258 |
| logSw: | -5.1385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.368 |
| InChI Key: | OXKODAINTCSIBH-FQEVSTJZSA-N |