2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-(4-methylbenzamido)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-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1254 |
| Compound Name: | 2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 521.49 |
| Molecular Formula: | C23 H25 N3 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N(C)CCc1c(C)noc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1327 |
| logD: | 1.882 |
| logSw: | -4.1463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.408 |
| InChI Key: | DHMHDWVNCBBXRB-UHFFFAOYSA-N |