2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0337 |
| Compound Name: | 2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 517.52 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1ccc(cc1C(O)=O)N1CCN(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1373 |
| logD: | 3.1373 |
| logSw: | -3.3796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.527 |
| InChI Key: | JUBCFDZXEMRWCF-UHFFFAOYSA-N |