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2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure

CAS No:
446310-10-7
Formula:
C17H16N4O4S2
Chemical Name:
2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Synonyms:
CHEMBL469773;SCHEMBL13091526;ZINC2999703;BDBM50278416;STK864259;AKOS001412338;MCULE-6322122095;UPCMLD0ENAT5876096:001;SR-01000248157;SR-01000248157-1;Z57418617;2-(3-(3-nitrobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide;2-({[(3-nitrophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;2-({[(3-nitrophenyl)formamido]methanethioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;446310-10-7

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2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes

Molecular Weight：

404.5 g/mol

Exact Mass：

404.06129735 g/mol

Characteristics

PSA：

190 Å²

XLogP3：

4.4482

Computed Properties

Molecular Weight:404.5
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:404.06129735
Monoisotopic Mass:404.06129735
Topological Polar Surface Area:190
Heavy Atom Count:27
Complexity:627
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Basic Attributes
Characteristics
Computed Properties

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