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3-[(2-chlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole

3-[(2-chlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole structure

CAS No:
332390-32-6
Formula:
C22H18ClN3OS
Chemical Name:
3-[(2-chlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Synonyms:
3-[(2-chlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole;4H-1,2,4-Triazole, 3-[[(2-chlorophenyl)methyl]thio]-5-(4-methoxyphenyl)-4-phenyl-

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3-[(2-chlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole Basic Attributes

Molecular Weight：

407.92

Exact Mass：

407.0859111 g/mol

Characteristics

PSA：

65.2 Å²

Density：

1.26±0.1 g/cm3(Predicted)

Boiling Point：

602.7±65.0 °C(Predicted)

PKA：

0.87±0.10(Predicted)

Computed Properties

Molecular Weight:407.9
XLogP3:5.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:407.0859111
Monoisotopic Mass:407.0859111
Topological Polar Surface Area:65.2
Heavy Atom Count:28
Complexity:471
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole

Basic Attributes
Characteristics
Computed Properties

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