Basic information
- CAS
108659-74-1- Standard SMILES
COc1ccccc1-n1c(CS(=O)(=O)C(C)(C)C)nc2c(Br)cc(Br)cc2c1=O- InChIKey
DFAAEXFLALXFNL-UHFFFAOYSA-N- Molecular formula
- C20H20Br2N2O4S
- Average molar mass
- 544.3 g/mol
- Monoisotopic mass
- 541.95105
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6,8-dibromo-2-(((1,1-dimethylethyl)sulfonyl)methyl)-3-(2-methoxyphenyl)-
- IUPAC
- 6,8-dibromo-2-(tert-butylsulfonylmethyl)-3-(2-methoxyphenyl)quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 6,8-dibromo-2-(((1,1-dimethylethyl)sulfonyl)methyl)-3-(2-methoxyphenyl)-6,8-Dibromo-2-(((1,1-dimethylethyl)sulfonyl)methyl)-3-(2-methoxyphenyl)-4(3H)-quinazolinone108659-74-1DTXSID70148665RefChem:284190DTXCID20711566,8-Dibromo-3-(2-methoxyphenyl)-2-[(2-methylpropane-2-sulfonyl)methyl]quinazolin-4(3H)-one
Database identifiers
- CAS
108659-74-1- PubChem CID
- 63183
- DTXSID
DTXSID70148665
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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