Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate

HCID 22293256

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)CCN(CC(F)(F)F)C1=O
InChIKey
DQDXXJUCHBYWQI-UHFFFAOYSA-N
Molecular formula
C20H26F3N3O5
Average molar mass
445.4 g/mol

Names & identifiers

Preferred name
Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate
IUPAC
benzyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate

Names & synonyms

Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylateSCHEMBL1197957Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethy)-1,4-diazepane-1-carboxylate

Database identifiers

PubChem CID
22293256

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
88.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

Related reactions

16 records

Compound notes

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