8,9-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
8,9-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8,9-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-8616 |
| Compound Name: | 8,9-dimethyl-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C15 H15 N7 O2 S |
| Smiles: | Cc1c2c3nc(CCn4c(C)cc(n4)[N+]([O-])=O)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.0169 |
| logD: | 1.9876 |
| logSw: | -2.0706 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.134 |
| InChI Key: | HYDQMRGOUXICLA-UHFFFAOYSA-N |