5-(2,4-dimethylbenzene-1-sulfonyl)-3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Chemical Structure Depiction of
5-(2,4-dimethylbenzene-1-sulfonyl)-3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
5-(2,4-dimethylbenzene-1-sulfonyl)-3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0056 |
| Compound Name: | 5-(2,4-dimethylbenzene-1-sulfonyl)-3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C20 H26 N6 O2 S2 |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)S(c2ccc(C)cc2C)(=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.7813 |
| logD: | 2.7727 |
| logSw: | -3.038 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.713 |
| InChI Key: | VUJTUBTVBXADDF-UHFFFAOYSA-N |