3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
Chemical Structure Depiction of
3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | L888-0240 |
| Compound Name: | 3-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C18 H19 N7 O2 S2 |
| Smiles: | Cn1c(c2c3CN(CCc3n(C)n2)S(c2cccc(C#N)c2)(=O)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.1791 |
| logD: | 1.1749 |
| logSw: | -2.2893 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.769 |
| InChI Key: | UCTYUEWLSWSQII-UHFFFAOYSA-N |