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2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile structure

CAS No:
5580-53-0
Formula:
C22H26BrN3
Chemical Name:
2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
Synonyms:
AG-205/37068032;5580-53-0;Oprea1_158342;DTXSID40365322;ZINC36030338;MCULE-4242349128;2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

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2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile Basic Attributes

Molecular Weight：

412.4 g/mol

Exact Mass：

411.13101 g/mol

DSSTox ID：

DTXSID40365322

Characteristics

PSA：

62.7 Å²

Computed Properties

Molecular Weight:412.4
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:411.13101
Monoisotopic Mass:411.13101
Topological Polar Surface Area:62.7
Heavy Atom Count:26
Complexity:473
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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