5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0082 |
| Compound Name: | 5-[(5-bromothiophene-2-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 561.39 |
| Molecular Formula: | C16 H19 Br N2 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5107 |
| logD: | 2.395 |
| logSw: | -4.0387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.218 |
| InChI Key: | DGNAISBQIJHSQA-UHFFFAOYSA-N |