4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0190 |
Compound Name: | 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 523.91 |
Molecular Formula: | C18 H20 Cl N3 O4 S |
Salt: | CF3COOH |
Smiles: | CS(Nc1cc(ccc1N1CCN(CC1)c1ccc(cc1)[Cl])C(O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6228 |
logD: | 1.5131 |
logSw: | -4.0849 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.228 |
InChI Key: | QMNJNSSESMVTDZ-UHFFFAOYSA-N |