2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid
2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid
Compound characteristics
Compound ID: | F290-0720 |
Compound Name: | 2-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid |
Molecular Weight: | 475.56 |
Molecular Formula: | C22 H22 F N3 O4 S2 |
Smiles: | C1CN(CCN1Cc1cccc(c1)F)c1ccc(cc1C(O)=O)NS(c1cccs1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9673 |
logD: | 1.8517 |
logSw: | -4.0431 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.007 |
InChI Key: | DRDVSUACBZGBAD-UHFFFAOYSA-N |