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2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one

2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one structure

CAS No:
879433-06-4
Formula:
C18H12F3N5OS
Chemical Name:
2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Synonyms:
ZINC5706325;STK595465;STK782978;AKOS005517162;AKOS032395609;MCULE-4425509643;2-((5-mercapto-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one;2-({5-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one;2-({5-thioxo-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one;879433-06-4

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2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Basic Attributes

Molecular Weight：

403.4 g/mol

Exact Mass：

403.07146568 g/mol

Characteristics

PSA：

92.4 Å²

Computed Properties

Molecular Weight:403.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:403.07146568
Monoisotopic Mass:403.07146568
Topological Polar Surface Area:92.4
Heavy Atom Count:28
Complexity:710
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one

Basic Attributes
Characteristics
Computed Properties

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