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3-amino-2-(4-bromobenzoyl)-6-oxo-4,5,6,7-tetrahydrospiro(thieno[2,3-b]pyridine-4,1'-cyclohexane)-5-carbonitrile

3-amino-2-(4-bromobenzoyl)-6-oxo-4,5,6,7-tetrahydrospiro(thieno[2,3-b]pyridine-4,1'-cyclohexane)-5-carbonitrile structure

CAS No:
185414-55-5
Formula:
C20H18BrN3O2S
Chemical Name:
3-amino-2-(4-bromobenzoyl)-6-oxo-4,5,6,7-tetrahydrospiro(thieno[2,3-b]pyridine-4,1'-cyclohexane)-5-carbonitrile
Synonyms:
NSC701735;3-amino-2-(4-bromobenzoyl)-6-oxo-4,5,6,7-tetrahydrospiro(thieno[2,3-b]pyridine-4,1"-cyclohexane)-5-carbonitrile;Oprea1_127205;Oprea1_558196;CHEMBL1983957;CTK7C6188;STK860446;AKOS000550908;MCULE-9591784447;NSC-701735

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3-amino-2-(4-bromobenzoyl)-6-oxo-4,5,6,7-tetrahydrospiro(thieno[2,3-b]pyridine-4,1'-cyclohexane)-5-carbonitrile Basic Attributes

Molecular Weight：

444.34482

Exact Mass：

443.03

NSC Number：

701735

Characteristics

PSA：

124

XLogP3：

5.6

Computed Properties

Molecular Weight:444.3
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:443.03031
Monoisotopic Mass:443.03031
Topological Polar Surface Area:124
Heavy Atom Count:27
Complexity:663
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-amino-2-(4-bromobenzoyl)-6-oxo-4,5,6,7-tetrahydrospiro(thieno[2,3-b]pyridine-4,1'-cyclohexane)-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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