tert-Butyl 4-((2-(5-bromo-3-(4-fluorophenoxy)pyridin-2-ylamino)thiazol-4-yl)methyl)-3-oxopiperazine-1-carboxylate

HCID 57742856

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2csc(Nc3ncc(Br)cc3Oc3ccc(F)cc3)n2)C(=O)C1
InChIKey
ZAJCUPIAEIZAET-UHFFFAOYSA-N
Molecular formula
C24H25BrFN5O4S
Average molar mass
578.5 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-((2-(5-bromo-3-(4-fluorophenoxy)pyridin-2-ylamino)thiazol-4-yl)methyl)-3-oxopiperazine-1-carboxylate
IUPAC
tert-butyl 4-[[2-[[5-bromo-3-(4-fluorophenoxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]methyl]-3-oxopiperazine-1-carboxylate

Names & synonyms

SCHEMBL1330291ZAJCUPIAEIZAET-UHFFFAOYSA-Ntert-Butyl 4-((2-(5-bromo-3-(4-fluorophenoxy)pyridin-2-ylamino)thiazol-4-yl)methyl)-3-oxopiperazine-1-carboxylate

Database identifiers

PubChem CID
57742856

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
36

Related reactions

6 records

Compound notes

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