2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-9-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}-9-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}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1515 |
| Compound Name: | 2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 424.42 |
| Molecular Formula: | C18 H16 F4 N6 S |
| Smiles: | CC1CCc2c3c4nc(Cn5c(cc(C(F)F)n5)C(F)F)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9703 |
| logD: | 2.9702 |
| logSw: | -3.2689 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.796 |
| InChI Key: | QCOCTVUTAKLGPX-MRVPVSSYSA-N |