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3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile

3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile structure

CAS No:
78583-97-8
Formula:
C19H17N3OS
Chemical Name:
3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile
Synonyms:
NSC-358289;78583-97-8;NSC358289;CHEMBL564890;DTXSID40320350;ZINC1584222

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3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile Basic Attributes

Molecular Weight：

335.4 g/mol

Exact Mass：

335.10923335 g/mol

NSC Number：

358289

DSSTox ID：

DTXSID40320350

Characteristics

PSA：

121 Å²

Computed Properties

Molecular Weight:335.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:335.10923335
Monoisotopic Mass:335.10923335
Topological Polar Surface Area:121
Heavy Atom Count:24
Complexity:524
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-diamino-2-benzoyl-6-ethyl-7-methyl-1-benzothiophene-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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