heptyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0580 |
| Compound Name: | heptyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C20 H25 N5 O4 |
| Smiles: | CCCCCCCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8289 |
| logD: | 4.5406 |
| logSw: | -4.6805 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.419 |
| InChI Key: | UIYVBFUMWLLEJA-SFHVURJKSA-N |