1-(Tert-butoxycarbonyl)-4-[2,6-difluoro-4-(benzyloxycarbonyl)aminophenyl]piperazine

HCID 21462617

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)CC1
InChIKey
FKFNQKOOYVUIIY-UHFFFAOYSA-N
Molecular formula
C23H27F2N3O4
Average molar mass
447.5 g/mol
Monoisotopic mass
447.19696268

Names & identifiers

Preferred name
1-(Tert-butoxycarbonyl)-4-[2,6-difluoro-4-(benzyloxycarbonyl)aminophenyl]piperazine
IUPAC
tert-butyl 4-[2,6-difluoro-4-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL2449157FKFNQKOOYVUIIY-UHFFFAOYSA-N1-(tert-butoxycarbonyl)-4-[2,6-difluoro-4-(benzyloxycarbonyl)aminophenyl]piperazine4-(4-Benzyloxycarbonylamino-2,6-difluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
21462617

Properties

Computed structural properties

XLogP
4
Topological polar surface area
71.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

Related reactions

4 records

Linked notes

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