2-cyclohexyl-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}ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-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}ethan-1-one
2-cyclohexyl-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}ethan-1-one
Compound characteristics
| Compound ID: | L886-0423 |
| Compound Name: | 2-cyclohexyl-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}ethan-1-one |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C20 H30 N6 O S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(CC2CCCCC2)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 2.8596 |
| logD: | 2.8213 |
| logSw: | -2.9546 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.23 |
| InChI Key: | GHTATLNDTJSZAT-UHFFFAOYSA-N |