4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0511 |
| Compound Name: | 4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 537.53 |
| Molecular Formula: | C20 H26 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1ccc(cc1NS(c1cc(ccc1C)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6075 |
| logD: | 3.6075 |
| logSw: | -3.8441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.153 |
| InChI Key: | FTQINYKBXHSXPQ-UHFFFAOYSA-N |