benzyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C551-0051 |
| Compound Name: | benzyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C20 H17 N5 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(N1)ncn2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4292 |
| logD: | 3.2471 |
| logSw: | -3.6532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.229 |
| InChI Key: | BDQXQAFKFPHAME-SFHVURJKSA-N |