2-{1-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-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-{1-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{1-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1526 |
| Compound Name: | 2-{1-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C21 H21 F3 N6 S |
| Smiles: | CC1CCc2c3c4nc(C(C)n5c(cc(C(F)(F)F)n5)C5CC5)nn4C=Nc3sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9058 |
| logD: | 4.9056 |
| logSw: | -4.8062 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.146 |
| InChI Key: | QVNZNBZUAXDXOE-UHFFFAOYSA-N |