tert-Butyl 4-[(Benzyloxy)methyl]hexahydro-3-oxo-2-[4-(trifluoromethoxy)benzyl]-1H-1,4-diazepine-1-carboxylate

HCID 21962099
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCN(COCc2ccccc2)C(=O)C1Cc1ccc(OC(F)(F)F)cc1
InChIKey
JIJMJDGMPILGJX-UHFFFAOYSA-N
Molecular formula
C26H31F3N2O5
Average molar mass
508.5 g/mol
Monoisotopic mass
508.21850658

Names & identifiers

Preferred name
tert-Butyl 4-[(Benzyloxy)methyl]hexahydro-3-oxo-2-[4-(trifluoromethoxy)benzyl]-1H-1,4-diazepine-1-carboxylate
IUPAC
tert-butyl 3-oxo-4-(phenylmethoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane-1-carboxylate

Names & synonyms

tert-Butyl 4-[(Benzyloxy)methyl]hexahydro-3-oxo-2-[4-(trifluoromethoxy)benzyl]-1H-1,4-diazepine-1-carboxylateSCHEMBL5043388

Database identifiers

PubChem CID
21962099

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
68.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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