9-methyl-2-{[5-methyl-3-(trifluoromethyl)-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
9-methyl-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-methyl-2-{[5-methyl-3-(trifluoromethyl)-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: | Y502-1513 |
| Compound Name: | 9-methyl-2-{[5-methyl-3-(trifluoromethyl)-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: | 406.43 |
| Molecular Formula: | C18 H17 F3 N6 S |
| Smiles: | CC1CCc2c3c4nc(Cn5c(C)cc(C(F)(F)F)n5)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.477 |
| logD: | 3.4768 |
| logSw: | -3.8727 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.767 |
| InChI Key: | HQVSFIYMHQBUMT-SECBINFHSA-N |