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ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

CAS No:
380343-29-3
Formula:
C19H20F2N2O3S2
Chemical Name:
ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonyms:
380343-29-3;ethyl 2-({[4-(difluoromethoxy)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-(3-(4-(difluoromethoxy)phenyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;ZINC3251996;STL265295;AKOS001025795;MCULE-7347482566;ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;SR-01000446879;SR-01000446879-1;Z45790375;F1008-0281

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ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

Molecular Weight：

426.5 g/mol

Exact Mass：

426.08834118 g/mol

Characteristics

PSA：

120 Å²

XLogP3：

5.3599

Melting Point：

172 - 173 °C

Computed Properties

Molecular Weight:426.5
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:426.08834118
Monoisotopic Mass:426.08834118
Topological Polar Surface Area:120
Heavy Atom Count:28
Complexity:547
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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