5-(3-chloro-4-fluorobenzene-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-(3-chloro-4-fluorobenzene-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-(3-chloro-4-fluorobenzene-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: | L888-0053 |
| Compound Name: | 5-(3-chloro-4-fluorobenzene-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: | 470.97 |
| Molecular Formula: | C18 H20 Cl F N6 O2 S2 |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)S(c2ccc(c(c2)[Cl])F)(=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.4345 |
| logD: | 2.4259 |
| logSw: | -3.1442 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.713 |
| InChI Key: | UWCGWSHELHEIAQ-UHFFFAOYSA-N |