AC1O1H9F structure

AC1O1H9F

2-[(2-fluorophenyl)methylsulfanyl]-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Also Known As: 2-{[(2-fluorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one|F0576-0115|2-((2-fluorobenzyl)thio)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-[(2-fluorophenyl)methylsulfanyl]-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-[(2-fluorophenyl)methylsulfanyl]-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

CAS: 536982-44-2
Molecular Formula C22H19FN4O2S
Molecular Weight 422.12128 g/mol
LogP 4.4371
Topological Polar Surface Area 80.04 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 422.12128
Monoisotopic Mass 422.12128
Heavy Atoms 30
Complexity 1156.1992

Chemical Identifiers

CAS Number 536982-44-2
SMILES C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4F)N2)C5=CC=C(C=C5)O)C(=O)C1

Product Overview

AC1O1H9F (CAS 536982-44-2), with molecular formula C22H19FN4O2S and molecular weight 422.12128 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

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