AC1NYUVO

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

Also Known As: Oprea1_004500|2-[(2-chlorobenzyl)sulfanyl]-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-((2-chlorobenzyl)thio)-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-[(2-chlorobenzyl)sulfanyl]-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol|2-[(2-chlorophenyl)methylsulfanyl]-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-[(2-chlorophenyl)methylthio]-9-(3-hydroxyphenyl)-4,5,6,7,9,10-hexahydro-1,2, 4-triazolo[5,1-b]quinazolin-8-one|2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-9-(3-HYDROXYPHENYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE

Molecular Formula	C22H19ClN4O2S
Molecular Weight	438.09174 g/mol
LogP	4.9514
Topological Polar Surface Area	80.04 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	438.09174
Monoisotopic Mass	438.09174
Heavy Atoms	30
Complexity	1173.4492

Chemical Identifiers

CAS Number	536982-83-9
SMILES	C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4Cl)N2)C5=CC(=CC=C5)O)C(=O)C1