3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0124 |
Compound Name: | 3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 531.55 |
Molecular Formula: | C21 H27 N3 O4 S |
Salt: | CF3COOH |
Smiles: | CCN1CCN(CC1)c1ccc(cc1NS(c1cc(C)ccc1C)(=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 3.8839 |
logD: | 3.8839 |
logSw: | -3.7226 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.287 |
InChI Key: | PAIAXCGKNXEBML-UHFFFAOYSA-N |