3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-5-(3-fluoro-4-methylbenzene-1-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Chemical Structure Depiction of
3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-5-(3-fluoro-4-methylbenzene-1-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-5-(3-fluoro-4-methylbenzene-1-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Compound characteristics
| Compound ID: | L888-0431 |
| Compound Name: | 3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-5-(3-fluoro-4-methylbenzene-1-sulfonyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C20 H25 F N6 O2 S2 |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)S(c2ccc(C)c(c2)F)(=O)=O)nnc1SCC |
| Stereo: | ACHIRAL |
| logP: | 3.2093 |
| logD: | 3.1819 |
| logSw: | -3.367 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.628 |
| InChI Key: | LPSHVJDPPPYMGR-UHFFFAOYSA-N |