1-[7-(4-methoxy-3-nitrophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(4-methoxy-3-nitrophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-[7-(4-methoxy-3-nitrophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5976-1033 |
| Compound Name: | 1-[7-(4-methoxy-3-nitrophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C15 H15 N5 O4 |
| Smiles: | CC1=C(C(c2ccc(c(c2)[N+]([O-])=O)OC)n2c(N1)ncn2)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3703 |
| logD: | 1.3022 |
| logSw: | -2.1917 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.528 |
| InChI Key: | YGDSIJNGFLQBME-AWEZNQCLSA-N |