ethyl 2-{2-[(4-butyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-{2-[(4-butyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Available: 331 mg
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mg
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Compound characteristics

Compound ID: K403-0233
Compound Name: ethyl 2-{2-[(4-butyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Molecular Weight: 613.8
Molecular Formula: C30 H39 N5 O5 S2
Smiles: CCCCn1c(CNC(Cc2ccc(cc2)OC)=O)nnc1SCC(Nc1c(C(=O)OCC)c2CCCCCc2s1)=O
Stereo: ACHIRAL
logP: 4.9667
logD: 2.9155
logSw: -4.5678
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 2
Polar surface area: 101.16
InChI Key: ORNVDWRNOMXFPF-UHFFFAOYSA-N
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