AC1O1XB9 structure

AC1O1XB9

(6E)-5-imino-2-pentan-3-yl-6-[(4-propan-2-ylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Also Known As: (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-5-imino-2-(pentan-3-yl)-6-[4-(propan-2-yl)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-5-imino-2-pentan-3-yl-6-[(4-propan-2-ylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

CAS: 877792-95-5
Molecular Formula C20H24N4OS
Molecular Weight 368.16708 g/mol
LogP 4.86537
Topological Polar Surface Area 68.88 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 368.16708
Monoisotopic Mass 368.16708
Heavy Atoms 26
Complexity 816.7179

Chemical Identifiers

CAS Number 877792-95-5
SMILES CCC(CC)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)C(C)C)/C(=O)N=C2S1

Product Overview

AC1O1XB9 (CAS 877792-95-5), with molecular formula C20H24N4OS and molecular weight 368.16708 g/mol. IUPAC: (6E)-5-imino-2-pentan-3-yl-6-[(4-propan-2-ylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

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