AC1O0JDI

2-[(2-fluorophenyl)methylsulfanyl]-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Also Known As: Oprea1_414365|2-{[(2-fluorophenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one|SR-01000906993-1|2-((2-fluorobenzyl)thio)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|F0576-0110|2-{[(2-fluorophenyl)methyl]sulfanyl}-9-(3,4,5-trimethoxyphenyl)-1H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one|2-[(2-fluorophenyl)methylsulfanyl]-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-[(2-fluorophenyl)methylsulfanyl]-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Molecular Formula	C25H25FN4O4S
Molecular Weight	496.15805 g/mol
LogP	4.7573
Topological Polar Surface Area	87.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	496.15805
Monoisotopic Mass	496.15805
Heavy Atoms	35
Complexity	1297.5408

Chemical Identifiers

CAS Number	536982-29-3
SMILES	COC1=CC(=CC(=C1OC)OC)C2C3=C(CCCC3=O)NC4=NC(=NN24)SCC5=CC=CC=C5F