2-(4-chlorophenoxy)-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-(4-chlorophenoxy)-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-(4-chlorophenoxy)-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: | L886-0406 |
| Compound Name: | 2-(4-chlorophenoxy)-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: | 446.96 |
| Molecular Formula: | C20 H23 Cl N6 O2 S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(COc2ccc(cc2)[Cl])=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 2.2051 |
| logD: | 2.1668 |
| logSw: | -2.8782 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.537 |
| InChI Key: | ULDHYUNUNYIXED-UHFFFAOYSA-N |