5-(3,5-dimethylbenzene-1-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-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-(3,5-dimethylbenzene-1-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
5-(3,5-dimethylbenzene-1-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0429 |
| Compound Name: | 5-(3,5-dimethylbenzene-1-sulfonyl)-3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C21 H28 N6 O2 S2 |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)S(c2cc(C)cc(C)c2)(=O)=O)nnc1SCC |
| Stereo: | ACHIRAL |
| logP: | 3.2923 |
| logD: | 3.2649 |
| logSw: | -3.5692 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.628 |
| InChI Key: | XCIFOFPDPFNJLJ-UHFFFAOYSA-N |