4-[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]-4-oxobutanoic acid
4-[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y206-0374 |
| Compound Name: | 4-[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 411.29 |
| Molecular Formula: | C12 H15 Br N2 O5 S2 |
| Smiles: | C(CC(N1CCN(CC1)S(c1ccc(s1)[Br])(=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.674 |
| logD: | -2.2754 |
| logSw: | -1.9844 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.552 |
| InChI Key: | MKOLGZVKBDUNAN-UHFFFAOYSA-N |