2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-{[4-(2-methylpropyl)benzene-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-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1027 |
| Compound Name: | 2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.63 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(C)CCc1c(C)noc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3018 |
| logD: | 3.1861 |
| logSw: | -5.0641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.966 |
| InChI Key: | RKZLBXCJMASBGE-UHFFFAOYSA-N |