ethyl 9-methyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
ethyl 9-methyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
ethyl 9-methyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-2769 |
| Compound Name: | ethyl 9-methyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propan-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C17 H17 N7 O4 S |
| Smiles: | CCOC(c1c(C)c2c3nc(C(C)(C)n4cc(cn4)[N+]([O-])=O)nn3cnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.638 |
| logD: | 2.629 |
| logSw: | -2.6623 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 100.199 |
| InChI Key: | BZFQBKMUVJZYKA-UHFFFAOYSA-N |