3-(2-methylbenzamido)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(2-methylbenzamido)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-(2-methylbenzamido)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0372 |
| Compound Name: | 3-(2-methylbenzamido)-4-[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(cc1NC(c1ccccc1C)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7377 |
| logD: | 3.8434 |
| logSw: | -5.279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.67 |
| InChI Key: | PDLALANUZRQQAU-FQEVSTJZSA-N |