methyl 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

Chemical Structure Depiction of
methyl 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Available: 5 mg
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mg
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Compound characteristics

Compound ID: 8014-3084
Compound Name: methyl 4-({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Molecular Weight: 391.45
Molecular Formula: C21 H17 N3 O3 S
Smiles: COC(c1ccc(CSc2nnc(c3ccco3)n2c2ccccc2)cc1)=O
Stereo: ACHIRAL
logP: 4.0307
logD: 4.0307
logSw: -4.2245
Hydrogen bond acceptors count: 7
Polar surface area: 54.465
InChI Key: NWFJQNHXVXVASS-UHFFFAOYSA-N
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