5-(4-bromobenzamido)-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-bromobenzamido)-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-(4-bromobenzamido)-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0504 |
| Compound Name: | 5-(4-bromobenzamido)-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 548.36 |
| Molecular Formula: | C20 H24 Br N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9373 |
| logD: | 3.9373 |
| logSw: | -3.8795 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.292 |
| InChI Key: | WVSSEZXYJQDZDZ-UHFFFAOYSA-N |