3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0719 |
Compound Name: | 3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 611.61 |
Molecular Formula: | C26 H28 F N3 O4 S |
Salt: | CF3COOH |
Smiles: | Cc1ccc(C)c(c1)S(Nc1cc(ccc1N1CCN(CC1)Cc1cccc(c1)F)C(O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1595 |
logD: | 1.719 |
logSw: | -4.7723 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.29 |
InChI Key: | YWPIIAMZLTUYFG-UHFFFAOYSA-N |