ethyl 9-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
ethyl 9-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
ethyl 9-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-2770 |
| Compound Name: | ethyl 9-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-1-yl)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C16 H15 N7 O4 S |
| Smiles: | CCOC(c1c(C)c2c3nc(Cn4cc(c(C)n4)[N+]([O-])=O)nn3cnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8933 |
| logD: | 1.8891 |
| logSw: | -2.0592 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 101.074 |
| InChI Key: | IEALLBHQWGMEKS-UHFFFAOYSA-N |