2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-4114 |
| Compound Name: | 2-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-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: | Cn1c(cc(c2nc3c4c5CCCCc5sc4N=Cn3n2)n1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2229 |
| logD: | 3.2228 |
| logSw: | -3.523 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.092 |
| InChI Key: | MUAAZERCFLCOSJ-UHFFFAOYSA-N |