1-[Bis-(3-bromo-4-hydroxyphenyl)methyl]-1H-[1,2,4]triazole

HCID 21976892

Notes Reactions

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Basic information

Standard SMILES: Oc1ccc(C(c2ccc(O)c(Br)c2)n2cncn2)cc1Br
InChIKey: ZRCUDRUAGLSNHH-UHFFFAOYSA-N
Molecular formula: C15H11Br2N3O2
Average molar mass: 425.07 g/mol

Names & identifiers

Preferred name: 1-[Bis-(3-bromo-4-hydroxyphenyl)methyl]-1H-[1,2,4]triazole
IUPAC: 2-bromo-4-[(3-bromo-4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]phenol

Names & synonyms

Letrozole derivative, 9CHEMBL480451SCHEMBL3236328BDBM24311ZRCUDRUAGLSNHH-UHFFFAOYSA-N1-[Bis-(3-bromo-4-hydroxyphenyl)methyl]-1H-[1,2,4]triazole2-bromo-4-[(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]phenol

Database identifiers

PubChem CID: 21976892
ChEMBL: CHEMBL480451

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 71.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 351

Related reactions

1 records

New reaction record

HRID 19960As productuspto-grants-2010_06

Compound notes

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