2-[butyl(methyl)amino]-5-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0076 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 414.4 |
| Molecular Formula: | C13 H20 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9884 |
| logD: | -0.1272 |
| logSw: | -2.8683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.417 |
| InChI Key: | HVKUSWNVOPGOCW-UHFFFAOYSA-N |