2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-9189 |
| Compound Name: | 2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 498.36 |
| Molecular Formula: | C20 H16 Br N7 O2 S |
| Smiles: | CCc1c2c3nc(c4cccc(Cn5cc(c(n5)[N+]([O-])=O)[Br])c4)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.673 |
| logD: | 4.6725 |
| logSw: | -4.7282 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.715 |
| InChI Key: | ADFOTQLQFKIMJG-UHFFFAOYSA-N |