3-benzamido-4-[benzyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-benzamido-4-[benzyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
3-benzamido-4-[benzyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0572 |
| Compound Name: | 3-benzamido-4-[benzyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 474.44 |
| Molecular Formula: | C22 H20 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1NC(c1ccccc1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6592 |
| logD: | 2.7648 |
| logSw: | -4.2614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.694 |
| InChI Key: | OJPPPTHSYRFWCE-UHFFFAOYSA-N |