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}-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
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}-2-(2-methylphenyl)ethan-1-one
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}-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | L886-0113 |
| Compound Name: | 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}-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C21 H26 N6 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(Cc2ccccc2C)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.6511 |
| logD: | 2.6269 |
| logSw: | -2.6487 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.123 |
| InChI Key: | NSJFLDUJLOVSLA-UHFFFAOYSA-N |