9-methyl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-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-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-methyl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1516 |
| Compound Name: | 9-methyl-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C16 H13 F3 N6 S |
| Smiles: | CC1CCc2c3c4nc(c5cc(C(F)(F)F)n[nH]5)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.963 |
| logD: | 3.9628 |
| logSw: | -4.2698 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.337 |
| InChI Key: | XZNYUVAEUADJOX-SSDOTTSWSA-N |