diethyl 5-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate

Chemical Structure Depiction of
diethyl 5-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Available: 301 mg
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mg
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Compound characteristics

Compound ID: K403-0805
Compound Name: diethyl 5-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Molecular Weight: 688.2
Molecular Formula: C31 H31 Cl F N5 O6 S2
Smiles: CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2c(cccc2[Cl])F)=O)n1CCc1ccccc1)=O)=O
Stereo: ACHIRAL
logP: 4.9658
logD: 3.0912
logSw: -5.2429
Hydrogen bond acceptors count: 13
Hydrogen bond donors count: 2
Polar surface area: 114.06
InChI Key: ZAMHHTHWJNITQL-UHFFFAOYSA-N
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