AC1O1HBR structure

AC1O1HBR

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

Also Known As: 2-(methylsulfanyl)-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|SR-01000587141-1|2-(METHYLSULFANYL)-9-(2,4,5-TRIMETHOXYPHENYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE|2-(methylsulfanyl)-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|2-(methylthio)-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-methylsulfanyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-methylthio-9-(2,4,5-trimethoxyphenyl)-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[ 5,1-b]quinazolin-8-one

CAS: 698374-39-9
Molecular Formula C19H22N4O4S
Molecular Weight 402.13617 g/mol
LogP 3.0478
Topological Polar Surface Area 87.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 402.13617
Monoisotopic Mass 402.13617
Heavy Atoms 28
Complexity 969.0835

Chemical Identifiers

CAS Number 698374-39-9
SMILES COC1=CC(=C(C=C1C2C3=C(CCCC3=O)NC4=NC(=NN24)SC)OC)OC

Product Overview

AC1O1HBR (CAS 698374-39-9), with molecular formula C19H22N4O4S and molecular weight 402.13617 g/mol. IUPAC: 2-methylsulfanyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

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