ethyl 7-(3-nitrophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(3-nitrophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(3-nitrophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4358-6150 |
| Compound Name: | ethyl 7-(3-nitrophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C20 H17 N5 O4 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1c1ccccc1)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.647 |
| logD: | 2.1232 |
| logSw: | -3.8384 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.355 |
| InChI Key: | TUERQQJYVAJYGW-SFHVURJKSA-N |