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2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole

2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole structure

CAS No:
924663-40-1
Formula:
C18H21N3O3S
Chemical Name:
2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole
Synonyms:
1H-Benzimidazole,2-[[[4-(3-methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-;2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole;2-[[[3-Methyl-4-(3-methoxypropoxy)-1-oxo-2-pyridinyl]methyl]sulfanyl]-1H-benzimidazole;2-[[4-(3-Methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole

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2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole Basic Attributes

Molecular Weight：

359.44

Exact Mass：

359.44

DSSTox ID：

DTXSID30582521

Characteristics

PSA：

97.90000

XLogP3：

4.00740

Density：

1.28±0.1 g/cm3

Melting Point：

149-150 °C @ Solvent: Acetone

Boiling Point：

637.5±65.0 °C(Predicted)

PKA：

10.50±0.10

Computed Properties

Molecular Weight:359.4
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:359.13036271
Monoisotopic Mass:359.13036271
Topological Polar Surface Area:97.9
Heavy Atom Count:25
Complexity:404
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 924663-40-1

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Guide of 2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole

Basic Attributes
Characteristics
Computed Properties
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