3-[(5-bromothiophene-2-sulfonyl)amino]-4-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(5-bromothiophene-2-sulfonyl)amino]-4-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[(5-bromothiophene-2-sulfonyl)amino]-4-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0082 |
| Compound Name: | 3-[(5-bromothiophene-2-sulfonyl)amino]-4-[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(cc1NS(c1ccc(s1)[Br])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6203 |
| logD: | 2.4537 |
| logSw: | -4.0785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.52 |
| InChI Key: | OCFWPGVZQGXWOA-UHFFFAOYSA-N |