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2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone

2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone structure

CAS No:
848928-62-1
Formula:
C21H23N3O3S
Chemical Name:
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
Synonyms:
ZINC2444159;STL054140;AKOS000909376;MCULE-4275194218;ST50414612;1-(3,4-dihydroxyphenyl)-2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-y lthio)}ethan-1-one;2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone;848928-62-1

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2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone Basic Attributes

Molecular Weight：

397.5 g/mol

Exact Mass：

397.14601278 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:397.5
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:397.14601278
Monoisotopic Mass:397.14601278
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:534
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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