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ethyl 2-[2-({4-(3-chlorophenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-[2-({4-(3-chlorophenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Available: 44 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: K403-0089
Compound Name: ethyl 2-[2-({4-(3-chlorophenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Molecular Weight: 641.12
Molecular Formula: C28 H25 Cl N6 O6 S2
Smiles: CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1c1cccc(c1)[Cl])=O)=O
Stereo: ACHIRAL
logP: 4.8098
logD: 2.8292
logSw: -5.0333
Hydrogen bond acceptors count: 14
Hydrogen bond donors count: 2
Polar surface area: 127.739
InChI Key: ZGLOFQVXPMKQGT-UHFFFAOYSA-N
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