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2-bromo-6-methoxy-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

2-bromo-6-methoxy-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol structure

CAS No:
354540-70-8
Formula:
C17H15BrN4O2S
Chemical Name:
2-bromo-6-methoxy-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Synonyms:
2-bromo-6-methoxy-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol;AK-968/36945039;STK846135;STK984324;ZINC19860981;AKOS000354869;AKOS005626538;2-bromo-4-((E)-{[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol;2-bromo-6-methoxy-4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol;354540-70-8

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2-bromo-6-methoxy-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol Basic Attributes

Molecular Weight：

419.2956

Exact Mass：

418.01

Characteristics

PSA：

XLogP3：

3.9

Computed Properties

Molecular Weight:419.3
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:418.00991
Monoisotopic Mass:418.00991
Topological Polar Surface Area:102
Heavy Atom Count:25
Complexity:551
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-bromo-6-methoxy-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

Basic Attributes
Characteristics
Computed Properties

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