4-[butyl(methyl)amino]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[butyl(methyl)amino]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
4-[butyl(methyl)amino]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F295-0069 |
| Compound Name: | 4-[butyl(methyl)amino]-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 518.55 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1NS(c1c(C)cc(C)cc1C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3674 |
| logD: | 1.2039 |
| logSw: | -5.0851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.502 |
| InChI Key: | CJANWFCFSJYMGY-UHFFFAOYSA-N |