4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0673 |
Compound Name: | 4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 592.61 |
Molecular Formula: | C21 H26 N4 O5 S2 |
Salt: | CF3COOH |
Smiles: | C1CCN(C1)C(CN1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3689 |
logD: | 0.431 |
logSw: | -2.7839 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.067 |
InChI Key: | CXUMJKRFOVDAQM-UHFFFAOYSA-N |