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6-acetyl-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

HCID 178656409
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
292876-50-7
Standard SMILES
COc1ccc2ccc(OC)c(C=c3sc4n(c3=O)C(c3ccccc3OC)C(C(C)=O)=C(C)N=4)c2c1
InChIKey
RBSQSRYIOVBGAV-UHFFFAOYSA-N
Molecular formula
C29H26N2O5S
Average molar mass
514.6 g/mol
Monoisotopic mass
514.15624311

Names & identifiers

Preferred name
6-acetyl-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
IUPAC
6-acetyl-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
English name
6-acetyl-2-[(2,7-dimethoxy-1-naphthyl)methylene]-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Molecular formula
C29H26N2O5S
Molecular weight
514.59

Names & synonyms

ChemDiv1_0043066-acetyl-2-[(2,7-dimethoxy-1-naphthyl)methylene]-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one5H-Thiazolo[3,2-a]pyrimidin-3(2H)-one, 6-acetyl-2-[(2,7-dimethoxy-1-naphthalenyl)methylene]-5-(2-methoxyphenyl)-7-methyl-

Database identifiers

CAS
292876-50-7
PubChem CID
5018076

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
103 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
37
Formal charge
0
Complexity
1,010

Physicochemical properties

Boiling point
688.9 · 688.9±65.0 °C(Predicted)
Density
1.29 · 1.29±0.1 g/cm3(Predicted)
pka
-4.46 · -4.46±0.70(Predicted)

Chemistry & industry

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SPECS[email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes