3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
Chemical Structure Depiction of
3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | L888-0117 |
| Compound Name: | 3-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C19 H21 N7 O2 S2 |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)S(c2cccc(C#N)c2)(=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.5794 |
| logD: | 1.5708 |
| logSw: | -2.3917 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.769 |
| InChI Key: | JCDPVMQRTDWTKD-UHFFFAOYSA-N |