Tert-butyl 3-(5-(5-bromo-3-phenoxypyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)pyrrolidine-1-carboxylate

HCID 57742930
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nsc(Nc3ncc(Br)cc3Oc3ccccc3)n2)C1
InChIKey
LQNVHZMOLPDBMA-UHFFFAOYSA-N
Molecular formula
C22H24BrN5O3S
Average molar mass
518.4 g/mol

Names & identifiers

Preferred name
Tert-butyl 3-(5-(5-bromo-3-phenoxypyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-[5-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL1328575LQNVHZMOLPDBMA-UHFFFAOYSA-Ntert-butyl 3-(5-(5-bromo-3-phenoxypyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)pyrrolidine-1-carboxylate

Database identifiers

PubChem CID
57742930

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

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