8,9-dimethyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
8,9-dimethyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8,9-dimethyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-8068 |
| Compound Name: | 8,9-dimethyl-2-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C20 H17 N7 O2 S |
| Smiles: | Cc1c2c3nc(c4ccc(Cn5c(C)cc(n5)[N+]([O-])=O)cc4)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.5654 |
| logD: | 3.5574 |
| logSw: | -3.8924 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.893 |
| InChI Key: | VTENJKSPWHDTNV-UHFFFAOYSA-N |