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1-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one

1-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one structure

CAS No:
499102-14-6
Formula:
C21H22ClN3OS
Chemical Name:
1-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Synonyms:
ZINC1474775;STL308066;AKOS001041092;MCULE-3705929889;ST50060326;1-((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-3,3-DIMETHYL-2-BUTANONE;1-[5-(4-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-3,3-dimethyl butan-2-one;1-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one;499102-14-6

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1-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Basic Attributes

Molecular Weight：

399.9 g/mol

Exact Mass：

399.1172112 g/mol

Characteristics

PSA：

73.1 Å²

Computed Properties

Molecular Weight:399.9
XLogP3:5.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:399.1172112
Monoisotopic Mass:399.1172112
Topological Polar Surface Area:73.1
Heavy Atom Count:27
Complexity:496
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl chloride; methyl ethyl ketoxime; aluminum nitrate; acetanilide structure; barium oxide; p-aminobenzoic acid

Guide of 1-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one

Basic Attributes
Characteristics
Computed Properties

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