3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
Chemical Structure Depiction of
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F292-0029 |
| Compound Name: | 3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid |
| Molecular Weight: | 517.52 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1cc(ccc1N1CCN(C)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6528 |
| logD: | 3.6528 |
| logSw: | -3.8133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.227 |
| InChI Key: | SVCIURCGINLNOA-UHFFFAOYSA-N |