ethyl 7-(4-bromophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-bromophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-bromophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1397 |
| Compound Name: | ethyl 7-(4-bromophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 470.28 |
| Molecular Formula: | C20 H16 Br N5 O4 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1c1ccc(cc1)[N+]([O-])=O)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6393 |
| logD: | 2.9484 |
| logSw: | -4.3782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.355 |
| InChI Key: | ZXPHNVOIHYNLQN-SFHVURJKSA-N |