ethyl 5-methyl-7-(3-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(3-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(3-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7658 |
| Compound Name: | ethyl 5-methyl-7-(3-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 397.31 |
| Molecular Formula: | C16 H14 F3 N5 O4 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)nc(C(F)(F)F)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3799 |
| logD: | -0.2578 |
| logSw: | -3.6706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.184 |
| InChI Key: | SVPPHCWUCSNZRW-LBPRGKRZSA-N |