1-{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}-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-{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}-2,2,2-trifluoroethan-1-one
1-{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}-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | L886-0514 |
| Compound Name: | 1-{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}-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C14 H17 F3 N6 O S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(C(F)(F)F)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.19 |
| logD: | 1.1517 |
| logSw: | -1.4476 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.836 |
| InChI Key: | SJHKFWXPATUUOQ-UHFFFAOYSA-N |