2-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-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-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1522 |
| Compound Name: | 2-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 426.85 |
| Molecular Formula: | C17 H14 Cl F3 N6 S |
| Smiles: | CC1CCc2c3c4nc(c5c(c(C(F)(F)F)nn5C)[Cl])nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0471 |
| logD: | 4.047 |
| logSw: | -4.9951 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.638 |
| InChI Key: | JQBYHCUDPZYISU-SSDOTTSWSA-N |