3-Bromo-7-[(phenoxyacetyl)amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl)ester

HCID 54021189
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Basic information

Standard SMILES
O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(Br)CCC12
InChIKey
KZANJBNDFFBYLO-UHFFFAOYSA-N
Molecular formula
C29H25BrN2O5
Average molar mass
561.4 g/mol

Names & identifiers

Preferred name
3-Bromo-7-[(phenoxyacetyl)amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl)ester
IUPAC
benzhydryl 3-bromo-8-oxo-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Names & synonyms

KZANJBNDFFBYLO-UHFFFAOYSA-N3-bromo-7-[(phenoxyacetyl)amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl)ester

Database identifiers

PubChem CID
54021189

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
84.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
37

Related reactions

6 records
New reaction record

Linked notes

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