2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1527 |
| Compound Name: | 2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 410.39 |
| Molecular Formula: | C17 H14 F4 N6 S |
| Smiles: | C1CCc2c(C1)c1c3nc(Cn4c(cc(C(F)F)n4)C(F)F)nn3C=Nc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.5363 |
| logD: | 2.5356 |
| logSw: | -2.5608 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.796 |
| InChI Key: | ZWQUMGNHDNVZCR-UHFFFAOYSA-N |