2-[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Chemical Structure Depiction of
2-[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Available: 1 mg
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mg
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Compound characteristics

Compound ID: 4073-0125
Compound Name: 2-[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Molecular Weight: 380.47
Molecular Formula: C20 H20 N4 O2 S
Smiles: COc1cccc(c1OC)c1ncnn1c1c(C#N)c2CCCCCc2s1
Stereo: ACHIRAL
logP: 4.4519
logD: 4.4515
logSw: -4.6374
Hydrogen bond acceptors count: 5
Polar surface area: 58.554
InChI Key: ABYGQXTWSDNUSM-UHFFFAOYSA-N
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