tert-butyl N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

HCID 178459286
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Basic information

Standard SMILES
CC(C)(O)CN1CC(c2cccc(F)c2F)CCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1=O
InChIKey
SSDTWADKNAPKIN-UHFFFAOYSA-N
Molecular formula
C26H38F2N2O6
Average molar mass
512.6 g/mol
Monoisotopic mass
512.26979326

Names & identifiers

IUPAC
tert-butyl N-[6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Database identifiers

PubChem CID
73743371

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
96.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
36

Related reactions

2 records
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Compound notes

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