1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-methylphenyl)ethan-1-one
1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | L886-0218 |
| Compound Name: | 1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C20 H24 N6 O S |
| Smiles: | Cc1ccc(CC(N2CCc3c(C2)c(c2nnc(n2C)SC)nn3C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9174 |
| logD: | 1.9052 |
| logSw: | -2.289 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.123 |
| InChI Key: | KWGCQCRBOPTOEY-UHFFFAOYSA-N |