1-(4-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}phenyl)ethan-1-one
1-(4-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | L888-0426 |
| Compound Name: | 1-(4-{3-[4-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}phenyl)ethan-1-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C21 H26 N6 O3 S2 |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)S(c2ccc(cc2)C(C)=O)(=O)=O)nnc1SCC |
| Stereo: | ACHIRAL |
| logP: | 2.0951 |
| logD: | 2.0678 |
| logSw: | -2.6157 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.454 |
| InChI Key: | WIRATFQXKLTTMF-UHFFFAOYSA-N |