5-[butyl(methyl)amino]-2-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[butyl(methyl)amino]-2-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
5-[butyl(methyl)amino]-2-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F685-0394 |
| Compound Name: | 5-[butyl(methyl)amino]-2-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C20 H24 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(c(c1)C(O)=O)NC(c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0811 |
| logD: | -0.0351 |
| logSw: | -3.9242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.244 |
| InChI Key: | CHRIWFPMXRWZED-UHFFFAOYSA-N |