4-[benzyl(methyl)amino]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[benzyl(methyl)amino]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-[benzyl(methyl)amino]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0432 |
| Compound Name: | 4-[benzyl(methyl)amino]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 488.46 |
| Molecular Formula: | C23 H22 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1cc(ccc1N(C)Cc1ccccc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1353 |
| logD: | 3.2409 |
| logSw: | -4.8078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.694 |
| InChI Key: | JIKIGLIHAOVGGN-UHFFFAOYSA-N |