ethyl 5-methyl-7-(4-methylphenyl)-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(4-methylphenyl)-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(4-methylphenyl)-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0117 |
| Compound Name: | ethyl 5-methyl-7-(4-methylphenyl)-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C25 H24 F3 N5 O3 |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)n2c(ncn2)N(CC(Nc2cccc(c2)C(F)(F)F)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1799 |
| logD: | 5.1792 |
| logSw: | -5.0318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.124 |
| InChI Key: | RTMIAUWYNYBFRZ-JOCHJYFZSA-N |