2-[benzyl(methyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0201 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.41 |
| Molecular Formula: | C19 H17 Br N2 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0756 |
| logD: | 3.2435 |
| logSw: | -4.5532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.968 |
| InChI Key: | KIGJOJTZDVKYJT-UHFFFAOYSA-N |