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1-(5-{[(2-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione

HCID 5269840
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Basic information

CAS
7067-53-0
Standard SMILES
CCCOc1cccc(C2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1
InChIKey
KQBDMJHVWHWSFX-UHFFFAOYSA-N
Molecular formula
C31H26FN5O4S2
Average molar mass
615.7 g/mol
Monoisotopic mass
615.14102484

Names & identifiers

Preferred name
1-(5-{[(2-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
IUPAC
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione

Names & synonyms

7067-53-0DTXSID604148011-(5-{[(2-Fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione

Database identifiers

CAS
7067-53-0
PubChem CID
5269840
DTXSID
DTXSID60414801

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
163 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
43
Formal charge
0
Complexity
1,050

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