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4-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione

4-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione structure

CAS No:
578735-56-5
Formula:
C18H16F3N3O3S
Chemical Name:
4-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Synonyms:
MLS000769751;CHEMBL1424422;HMS2799C20;ZINC5894394;STL045013;AKOS005698391;AKOS032386524;MCULE-8534002064;SMR000434484;4-(2-Trifluoromethyl-phenyl)-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol;4-[2-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;578735-56-5

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4-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

411.4 g/mol

Exact Mass：

411.08644704 g/mol

Characteristics

PSA：

87.4 Å²

Computed Properties

Molecular Weight:411.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:411.08644704
Monoisotopic Mass:411.08644704
Topological Polar Surface Area:87.4
Heavy Atom Count:28
Complexity:590
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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