2-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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: | L886-0069 |
| Compound Name: | 2-(2-chlorophenyl)-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: | 430.96 |
| Molecular Formula: | C20 H23 Cl N6 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(Cc2ccccc2[Cl])=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.6076 |
| logD: | 2.5834 |
| logSw: | -3.0443 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.123 |
| InChI Key: | UKRIMQYMZNMXHY-UHFFFAOYSA-N |