2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1528 |
| Compound Name: | 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-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: | Cc1cc(C(F)(F)F)nn1CCc1nc2c3c4CCCCc4sc3N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2753 |
| logD: | 3.2746 |
| logSw: | -3.422 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.745 |
| InChI Key: | BPOVQBQCKQZNMK-UHFFFAOYSA-N |