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1,3-benzoxazol-2-yl3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfide

1,3-benzoxazol-2-yl3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfide structure

CAS No:
722456-31-7
Formula:
C18H12N6OS
Chemical Name:
1,3-benzoxazol-2-yl3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfide
Synonyms:
1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide;7-(1,3-Benzoxazol-2-ylsulfanyl)-3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine;7-(2-Benzoxazolylthio)-3-(phenylmethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine;VAS 2870;VAS2870;VAS-2870;NOX Inhibitor III, VAS2870;2-(3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylthio)benzo[d]oxazole

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1,3-benzoxazol-2-yl3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfide Basic Attributes

Molecular Weight：

360.39

Exact Mass：

360.07933020

Characteristics

PSA：

107.82000

XLogP3：

3.56200

Density：

1.53±0.1 g/cm3

Boiling Point：

627.0±65.0 °C(Predicted)

PKA：

0.85±0.30

Safety Information

wgk germany：

hazard class code：

Marks：

Drug Information

MeSH Entry Terms：

3-benzyl-7-(2-benzoxazolyl)thio-1,2,3-triazolo(4,5-d)pyrimidine

Computed Properties

Molecular Weight:360.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:360.07933020
Monoisotopic Mass:360.07933020
Topological Polar Surface Area:108
Heavy Atom Count:26
Complexity:479
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-benzoxazol-2-yl3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ylsulfide

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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