ethyl 7-(4-chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3440 |
| Compound Name: | ethyl 7-(4-chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 425.83 |
| Molecular Formula: | C20 H16 Cl N5 O4 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1c1ccc(cc1)[N+]([O-])=O)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4001 |
| logD: | 2.7092 |
| logSw: | -4.8601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.355 |
| InChI Key: | YLYJSDZTNVCQLZ-SFHVURJKSA-N |