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3-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1H-1,2,4-triazole-5-thione

3-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1H-1,2,4-triazole-5-thione structure

CAS No:
742111-09-7
Formula:
C18H14F2N4O3S
Chemical Name:
3-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
Synonyms:
AKOS034412822;MCULE-6711697950;Z49985819;5-[4-(difluoromethoxy)phenyl]-4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol;742111-09-7

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3-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

404.4 g/mol

Exact Mass：

404.07546782 g/mol

Characteristics

PSA：

99.8 Å²

Computed Properties

Molecular Weight:404.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:404.07546782
Monoisotopic Mass:404.07546782
Topological Polar Surface Area:99.8
Heavy Atom Count:28
Complexity:628
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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