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

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

CAS No:
380340-28-3
Formula:
C20H23N3O3S2
Chemical Name:
ethyl 2-[(4-acetamidophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonyms:
ZINC3251678;STL454101;AKOS003713429;MCULE-1481275929;Z56821349;380340-28-3;ethyl 2-({[4-(acetylamino)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-{[(4-acetamidophenyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

Molecular Weight：

417.5 g/mol

Exact Mass：

417.11808395 g/mol

Characteristics

PSA：

140 Å²

XLogP3：

4.7899

Melting Point：

203 - 204 °C

Computed Properties

Molecular Weight:417.5
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:417.11808395
Monoisotopic Mass:417.11808395
Topological Polar Surface Area:140
Heavy Atom Count:28
Complexity:581
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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