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}-3-(4-methoxyphenyl)propan-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}-3-(4-methoxyphenyl)propan-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}-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | L886-0380 |
| 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}-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C22 H28 N6 O2 S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(CCc2ccc(cc2)OC)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 2.3996 |
| logD: | 2.3613 |
| logSw: | -2.5389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.581 |
| InChI Key: | XKNOKGLJGXKJHZ-UHFFFAOYSA-N |