4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0502 |
Compound Name: | 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 588.56 |
Molecular Formula: | C22 H26 N4 O6 S |
Salt: | CF3COOH |
Smiles: | COc1ccc(cc1OC)S(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9405 |
logD: | 0.1799 |
logSw: | -2.6555 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 108.293 |
InChI Key: | GFLPWGUOWMKYLF-UHFFFAOYSA-N |