Basic information
- CAS
86804-52-6- Standard SMILES
O=c1c2cccc(Br)c2nc(-c2ccccc2)n1CCc1cc(O)ccc1O- InChIKey
LAONLZPGLLHFJB-UHFFFAOYSA-N- Molecular formula
- C22H17BrN2O3
- Average molar mass
- 437.3 g/mol
- Monoisotopic mass
- 436.04225
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 8-bromo-3-(2-(2,5-dihydroxyphenyl)ethyl)-2-phenyl-
- IUPAC
- 8-bromo-3-[2-(2,5-dihydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 8-bromo-3-(2-(2,5-dihydroxyphenyl)ethyl)-2-phenyl-86804-52-6DTXSID102358218-Bromo-3-(2-(2,5-dihydroxyphenyl)ethyl)-2-phenyl-4(3H)-quinazolinoneRefChem:284344DTXCID401583128-Bromo-3-[2-(2,5-dihydroxyphenyl)ethyl]-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
86804-52-6- PubChem CID
- 63302
- DTXSID
DTXSID10235821
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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