Tert-butyl 5-[2-acetamido-3-(3-bromo-5-fluorophenyl)-1-hydroxypropyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylate

HCID 77514545
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Basic information

Standard SMILES
CC(=O)NC(Cc1cc(F)cc(Br)c1)C(O)C1COC(OCC(C)(C)C)C(C)N1C(=O)OC(C)(C)C
InChIKey
BZECLAQJPIVJPA-UHFFFAOYSA-N
Molecular formula
C26H40BrFN2O6
Average molar mass
575.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 5-[2-acetamido-3-(3-bromo-5-fluorophenyl)-1-hydroxypropyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylate
IUPAC
tert-butyl 5-[2-acetamido-3-(3-bromo-5-fluorophenyl)-1-hydroxypropyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylate

Database identifiers

PubChem CID
77514545

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
97.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
36

Related reactions

3 records
New reaction record

Compound notes

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