1-(9H-fluoren-9-yl)methyl 4-tert-butyl 2-(2-(2-bromophenylamino)-2-oxoethyl)piperazine-1,4-dicarboxylate

HCID 58284930
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(CC(=O)Nc2ccccc2Br)C1
InChIKey
OQHOSAKKVLQGLB-UHFFFAOYSA-N
Molecular formula
C32H34BrN3O5
Average molar mass
620.5 g/mol

Names & identifiers

Preferred name
1-(9H-fluoren-9-yl)methyl 4-tert-butyl 2-(2-(2-bromophenylamino)-2-oxoethyl)piperazine-1,4-dicarboxylate
IUPAC
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) 2-[2-(2-bromoanilino)-2-oxoethyl]piperazine-1,4-dicarboxylate

Names & synonyms

SCHEMBL2017904OQHOSAKKVLQGLB-UHFFFAOYSA-N1-(9H-fluoren-9-yl)methyl 4-tert-butyl 2-(2-(2-bromophenylamino)-2-oxoethyl)piperazine-1,4-dicarboxylate

Database identifiers

PubChem CID
58284930

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
88.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
41

Related reactions

7 records
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Linked notes

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