3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0023 |
Compound Name: | 3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 549.52 |
Molecular Formula: | C20 H25 N3 O6 S |
Salt: | CF3COOH |
Smiles: | CN1CCN(CC1)c1ccc(cc1NS(c1cc(ccc1OC)OC)(=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 2.5998 |
logD: | 2.5998 |
logSw: | -2.9835 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.401 |
InChI Key: | GRGFTYPZCVIXSW-UHFFFAOYSA-N |