{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}(3,4,5-trimethoxyphenyl)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}(3,4,5-trimethoxyphenyl)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}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | L886-0392 |
| 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}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C22 H28 N6 O4 S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(c2cc(c(c(c2)OC)OC)OC)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.456 |
| logD: | 1.4177 |
| logSw: | -1.9732 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.543 |
| InChI Key: | XCDBGZCIYJEYRM-UHFFFAOYSA-N |