{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[4-(trifluoromethyl)phenyl]methanone
{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | L886-0093 |
| Compound Name: | {3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[4-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C20 H21 F3 N6 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(c2ccc(cc2)C(F)(F)F)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.3994 |
| logD: | 2.3752 |
| logSw: | -2.5788 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.65 |
| InChI Key: | DYAZUNFSMHWCSC-UHFFFAOYSA-N |