2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one

Chemical Structure Depiction of
2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
Available: 107 mg
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mg
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Compound characteristics

Compound ID: 8430-1461
Compound Name: 2-({5-[(3,4-dimethoxyphenyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethan-1-one
Molecular Weight: 442.49
Molecular Formula: C21 H22 N4 O5 S
Smiles: CCn1c(Cc2ccc(c(c2)OC)OC)nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O
Stereo: ACHIRAL
logP: 3.1337
logD: 3.1337
logSw: -3.5194
Hydrogen bond acceptors count: 11
Polar surface area: 86.831
InChI Key: GHEKPOMBNKSMFW-UHFFFAOYSA-N
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