2-(4-chlorophenoxy)-1-{3-[5-(ethylsulfanyl)-4-methyl-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-[5-(ethylsulfanyl)-4-methyl-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-[5-(ethylsulfanyl)-4-methyl-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: | L886-0062 |
| Compound Name: | 2-(4-chlorophenoxy)-1-{3-[5-(ethylsulfanyl)-4-methyl-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: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(COc2ccc(cc2)[Cl])=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.9908 |
| logD: | 1.9666 |
| logSw: | -2.7255 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.622 |
| InChI Key: | DLOUJUGEPGODNE-UHFFFAOYSA-N |