4-[4-(4'-Bromomethylbiphenyl-4-ylmethoxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

HCID 21083191

Notes Reactions

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Basic information

Standard SMILES: O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccc(-c4ccc(CBr)cc4)cc3)cc2)N1c1ccc(F)cc1
InChIKey: MKJKHZAZINOMFQ-UHFFFAOYSA-N
Molecular formula: C38H32BrF2NO3
Average molar mass: 668.6 g/mol

Names & identifiers

Preferred name: 4-[4-(4'-Bromomethylbiphenyl-4-ylmethoxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
IUPAC: 4-[4-[[4-[4-(bromomethyl)phenyl]phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

Names & synonyms

SCHEMBL2912036MKJKHZAZINOMFQ-UHFFFAOYSA-N4-[4-(4'-Bromomethylbiphenyl-4-ylmethoxy)phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

Database identifiers

PubChem CID: 21083191

Properties

Computed structural properties

XLogP: 8
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 45
Formal charge: 0
Complexity: 901

Related reactions

10 records

New reaction record

HRID 133718As productuspto-grants-2008_06

HRID 133719As reactantuspto-grants-2008_06

HRID 348049As productuspto-grants-2007_02

HRID 348050As reactantuspto-grants-2007_02

HRID 961897As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1555366As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2105729As productuspto-grants-2009_08

HRID 2105730As reactantuspto-grants-2009_08

Compound notes

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