3-(4-bromobenzamido)-4-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(4-bromobenzamido)-4-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
3-(4-bromobenzamido)-4-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0854 |
| Compound Name: | 3-(4-bromobenzamido)-4-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 519.31 |
| Molecular Formula: | C19 H21 Br N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1NC(c1ccc(cc1)[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0332 |
| logD: | 3.1388 |
| logSw: | -4.3616 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.944 |
| InChI Key: | ANQATUXFXRFKOE-UHFFFAOYSA-N |