5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1042 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.56 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(C)CCc1c(C)noc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1635 |
| logD: | 1.0478 |
| logSw: | -3.5466 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.793 |
| InChI Key: | SCHQDFHBSOOSIX-UHFFFAOYSA-N |