ethyl 5-methyl-7-(3-nitrophenyl)-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(3-nitrophenyl)-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(3-nitrophenyl)-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 6069-0336 |
| Compound Name: | ethyl 5-methyl-7-(3-nitrophenyl)-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)nc(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.295 |
| logD: | 4.2825 |
| logSw: | -4.3223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.913 |
| InChI Key: | SGHSJTIUQGWTGJ-SFHVURJKSA-N |