2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3026 |
| Compound Name: | 2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C23 H29 N7 O2 S |
| Smiles: | CCC(C)(C)C1CCc2c3c4nc(CCn5c(C)c(c(C)n5)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9037 |
| logD: | 3.9036 |
| logSw: | -4.242 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.878 |
| InChI Key: | NJJFWOSLKPNOJS-OAHLLOKOSA-N |