tert-Butyl 6-benzyl-6-hydroxy-1,4-oxazepane-4-carboxylate

HCID 57732098
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCOCC(O)(Cc2ccccc2)C1
InChIKey
DVRSHSAZHPHZQN-UHFFFAOYSA-N
Molecular formula
C17H25NO4
Average molar mass
307.4 g/mol
Monoisotopic mass
307.17835828

Names & identifiers

Preferred name
tert-Butyl 6-benzyl-6-hydroxy-1,4-oxazepane-4-carboxylate
IUPAC
tert-butyl 6-benzyl-6-hydroxy-1,4-oxazepane-4-carboxylate

Names & synonyms

SCHEMBL13452646DVRSHSAZHPHZQN-UHFFFAOYSA-Ntert-Butyl 6-benzyl-6-hydroxy-1,4-oxazepane-4-carboxylate

Database identifiers

PubChem CID
57732098

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

6 records
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Compound notes

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