ethyl 2-[2-({4-butyl-5-[(2-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-[2-({4-butyl-5-[(2-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Available: 301 mg
Amount:
mg
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Compound characteristics

Compound ID: K403-0717
Compound Name: ethyl 2-[2-({4-butyl-5-[(2-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular Weight: 573.71
Molecular Formula: C27 H32 F N5 O4 S2
Smiles: CCCCn1c(CNC(c2ccccc2F)=O)nnc1SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O
Stereo: ACHIRAL
logP: 4.8838
logD: 2.8326
logSw: -4.5831
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 93.498
InChI Key: NHVAJLPHYJUEGX-UHFFFAOYSA-N
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