octyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
octyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0478 |
| Compound Name: | octyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | CCCCCCCCOC(C1C(c2ccc(cc2)[N+]([O-])=O)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3781 |
| logD: | 5.0898 |
| logSw: | -5.2868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.419 |
| InChI Key: | ASBLWFPZXZNTLX-IBGZPJMESA-N |