2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1039 |
| Compound Name: | 2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 557.54 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1ccc(c(c1)C(O)=O)N(C)CCc1c(C)noc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.95 |
| logD: | 1.8343 |
| logSw: | -3.9993 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.966 |
| InChI Key: | KWKPTQYHGGJYOK-UHFFFAOYSA-N |