2-(4-iodo-1-methyl-1H-pyrazol-3-yl)-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-(4-iodo-1-methyl-1H-pyrazol-3-yl)-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-(4-iodo-1-methyl-1H-pyrazol-3-yl)-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: | Y502-2779 |
| Compound Name: | 2-(4-iodo-1-methyl-1H-pyrazol-3-yl)-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: | 506.41 |
| Molecular Formula: | C20 H23 I N6 S |
| Smiles: | CCC(C)(C)C1CCc2c3c4nc(c5c(cn(C)n5)I)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4384 |
| logD: | 4.4384 |
| logSw: | -4.3871 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.931 |
| InChI Key: | QPQBBWICJGYIFF-LLVKDONJSA-N |