2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0495 |
| Compound Name: | 2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 487.45 |
| Molecular Formula: | C20 H24 F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1324 |
| logD: | 3.1324 |
| logSw: | -3.4496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.292 |
| InChI Key: | ZJOFQBZMTMISJU-UHFFFAOYSA-N |