ethyl 5-methyl-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0017 |
| Compound Name: | ethyl 5-methyl-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 485.46 |
| Molecular Formula: | C24 H22 F3 N5 O3 |
| Smiles: | CCOC(C1C(c2ccccc2)n2c(ncn2)N(CC(Nc2cccc(c2)C(F)(F)F)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7608 |
| logD: | 4.7601 |
| logSw: | -4.4366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.124 |
| InChI Key: | LLVKXEWEVMLKRG-OAQYLSRUSA-N |