{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone
{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | L886-0490 |
| Compound Name: | {3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C20 H21 F3 N6 O S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(c2ccccc2C(F)(F)F)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 2.3466 |
| logD: | 2.3083 |
| logSw: | -2.7718 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.565 |
| InChI Key: | XGCYXTPKHHZYSI-UHFFFAOYSA-N |