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1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine

1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine structure

CAS No:
74276-69-0
Formula:
C16H17Cl3N2O2S
Chemical Name:
1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine
Synonyms:
C16H17Cl3N2O2S;ZINC1640436;STL335973;AKOS022141804;1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine;74276-69-0

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1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine Basic Attributes

Molecular Weight：

407.7 g/mol

Exact Mass：

406.007632 g/mol

Characteristics

PSA：

74.4 Å²

Computed Properties

Molecular Weight:407.7
XLogP3:5.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:406.007632
Monoisotopic Mass:406.007632
Topological Polar Surface Area:74.4
Heavy Atom Count:24
Complexity:504
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(1E)-1-benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine

Basic Attributes
Characteristics
Computed Properties

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