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6-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid [3-(4-fluoro-phenyl)-2-oxo-propyl]-amide

HCID 67005205
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Basic information

Standard SMILES
Cc1cn2c(=O)c(OCc3ccccc3)c(C(=O)NCC(=O)Cc3ccc(F)cc3)nc2s1
InChIKey
CNQUKFMZENGSNT-UHFFFAOYSA-N
Molecular formula
C24H20FN3O4S
Average molar mass
465.5 g/mol

Names & identifiers

Preferred name
6-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid [3-(4-fluoro-phenyl)-2-oxo-propyl]-amide
IUPAC
N-[3-(4-fluorophenyl)-2-oxopropyl]-2-methyl-5-oxo-6-phenylmethoxy-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide

Names & synonyms

SCHEMBL1360989CNQUKFMZENGSNT-UHFFFAOYSA-N6-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid [3-(4-fluoro-phenyl)-2-oxo-propyl]-amide6-benzyloxy-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acid[3-(4-fluoro-phenyl)-2-oxo-propyl]-amide

Database identifiers

PubChem CID
67005205

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
33
Formal charge
0
Complexity
886

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Related reactions

2 records
New reaction record
HRID 96133 reaction equation
HRID 96133As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1968430 reaction equation
HRID 1968430As productuspto-grants-2013_04

Compound notes

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