Basic information
- CAS
106924-13-4- Standard SMILES
Cc1nc2c(Br)cc(Br)cc2c(=O)n1Cc1nnc(-c2ccc(O)cc2)o1- InChIKey
SZSIUOGXHAGCEV-UHFFFAOYSA-N- Molecular formula
- C18H12Br2N4O3
- Average molar mass
- 492.1 g/mol
- Monoisotopic mass
- 489.92762
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6,8-dibromo-3-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)methyl)-2-methyl-
- IUPAC
- 6,8-dibromo-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylquinazolin-4-one
Names & synonyms
BRN 56464954(3H)-Quinazolinone, 6,8-dibromo-3-((5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)methyl)-2-methyl-106924-13-4RefChem:284205DTXSID809101786,8-Dibromo-2-methyl-3-{[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}quinazolin-4(3H)-one
Database identifiers
- CAS
106924-13-4- PubChem CID
- 64044
- DTXSID
DTXSID80910178
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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