ethyl 2-{2-[(4-benzyl-5-{[(thiophene-2-carbonyl)amino]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-benzyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Available: 357 mg
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mg
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Compound characteristics

Compound ID: K403-0439
Compound Name: ethyl 2-{2-[(4-benzyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Molecular Weight: 609.79
Molecular Formula: C29 H31 N5 O4 S3
Smiles: CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1Cc1ccccc1)=O)=O
Stereo: ACHIRAL
logP: 5.2224
logD: 3.1712
logSw: -5.0186
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 94.598
InChI Key: AOQFGDGXFJBZQS-UHFFFAOYSA-N
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