5-[(5-bromothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(5-bromothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
5-[(5-bromothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F290-0504 |
| Compound Name: | 5-[(5-bromothiophene-2-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 499.4 |
| Molecular Formula: | C18 H19 Br N4 O4 S2 |
| Smiles: | C(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccc(s1)[Br])(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.9261 |
| logD: | 0.8105 |
| logSw: | -3.5209 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.748 |
| InChI Key: | YDHNRGZPXAANJD-UHFFFAOYSA-N |