AC1LYOFT structure

AC1LYOFT

2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid

Also Known As: Oprea1_219481|[(3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid|2-((3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetic acid|2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid

CAS: 373369-07-4
Molecular Formula C20H19N3O3S
Molecular Weight 381.11472 g/mol
LogP 2.8953
Topological Polar Surface Area 85.08 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 381.11472
Monoisotopic Mass 381.11472
Heavy Atoms 27
Complexity 1063.4952

Chemical Identifiers

CAS Number 373369-07-4
SMILES C1CCC2=NC3=C(C=C2C1)C(=O)N(C(=N3)SCC(=O)O)CC4=CC=CC=C4

Product Overview

AC1LYOFT (CAS 373369-07-4), with molecular formula C20H19N3O3S and molecular weight 381.11472 g/mol. IUPAC: 2-[(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetic acid.

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