N-(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)acetamide
Chemical Structure Depiction of
N-(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)acetamide
N-(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)acetamide
Compound characteristics
Compound ID: | L888-0377 |
Compound Name: | N-(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)acetamide |
Molecular Weight: | 489.62 |
Molecular Formula: | C21 H27 N7 O3 S2 |
Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)S(c2ccc(cc2)NC(C)=O)(=O)=O)nnc1SCC |
Stereo: | ACHIRAL |
logP: | 1.7543 |
logD: | 1.7266 |
logSw: | -2.6334 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.89 |
InChI Key: | NZBDOWQRFBXOPO-UHFFFAOYSA-N |