5-(4-bromobenzamido)-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-bromobenzamido)-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-(4-bromobenzamido)-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0091 |
| Compound Name: | 5-(4-bromobenzamido)-2-[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(cc1C(O)=O)NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7472 |
| logD: | 2.4966 |
| logSw: | -4.2545 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.641 |
| InChI Key: | DGEBZEJGJJLSOO-UHFFFAOYSA-N |