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ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Available: 5 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: Y501-1389
Compound Name: ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular Weight: 485.42
Molecular Formula: C18 H21 Br N4 O3 S2
Smiles: CCn1cc(c(C(NC(Nc2c(C(=O)OCC)c3CCCCc3s2)=S)=O)n1)[Br]
Stereo: ACHIRAL
logP: 4.0933
logD: 0.9089
logSw: -4.1203
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 68.757
InChI Key: PUQCPDAIOOQJBS-UHFFFAOYSA-N
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