2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1257 |
| Compound Name: | 2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-5-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 525.46 |
| Molecular Formula: | C22 H22 F N3 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCN(C)c2ccc(cc2C(O)=O)NC(c2ccccc2F)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.6922 |
| logD: | 1.4415 |
| logSw: | -4.1395 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.408 |
| InChI Key: | FXRDYHXJCVUFLE-UHFFFAOYSA-N |