ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
380342-95-0
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Formula:
C23H26N4O3S2
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Chemical Name:
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
380342-95-0;ethyl 2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;ZINC3251944;STL454049;AKOS001025480;MCULE-1943572341;ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;AB00685435-01;SR-01000481405;SR-01000481405-1;F1008-0240
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CAS No:
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
470.6 g/mol
470.14463305 g/mol
Computed Properties
Molecular Weight:470.6
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:470.14463305
Monoisotopic Mass:470.14463305
Topological Polar Surface Area:134
Heavy Atom Count:32
Complexity:783
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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