3-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]-4-fluorobenzoic acid
Chemical Structure Depiction of
3-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]-4-fluorobenzoic acid
3-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]-4-fluorobenzoic acid
Compound characteristics
Compound ID: | K781-1005 |
Compound Name: | 3-[4-(ethoxycarbonyl)piperazine-1-sulfonyl]-4-fluorobenzoic acid |
Molecular Weight: | 360.36 |
Molecular Formula: | C14 H17 F N2 O6 S |
Smiles: | CCOC(N1CCN(CC1)S(c1cc(ccc1F)C(O)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.94 |
logD: | -2.6009 |
logSw: | -2.4228 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.138 |
InChI Key: | LNZBDNDBFAPWTN-UHFFFAOYSA-N |