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

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

CAS No:
838865-17-1
Formula:
C17H12FN5OS
Chemical Name:
2-[[4-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Synonyms:
MLS000679746;CHEMBL1542663;HMS2622K11;ZINC5906637;STK782971;STK847771;AKOS005627970;AKOS032394443;MCULE-4899869409;SMR000297002;SR-01000301756;SR-01000301756-1;2-((4-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one;2-{[4-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone;2-{[4-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;2-{[4-(4-fluorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;838865-17-1

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

Molecular Weight：

353.4 g/mol

Exact Mass：

353.07465936 g/mol

Characteristics

PSA：

92.4 Å²

Computed Properties

Molecular Weight:353.4
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:353.07465936
Monoisotopic Mass:353.07465936
Topological Polar Surface Area:92.4
Heavy Atom Count:25
Complexity:616
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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