Basic information
- CAS
1025127-49-4- Standard SMILES
O=C(O)COc1c(Br)cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br- InChIKey
WLDCZCACVZYMKB-UHFFFAOYSA-N- Molecular formula
- C17H11Br2N3O5
- Average molar mass
- 497.1 g/mol
- Monoisotopic mass
- 494.90655
Names & identifiers
- Preferred name
- 2-[2,6-Dibromo-4-[[(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)imino]methyl]phenoxy]acetic acid
- IUPAC
- 2-[2,6-dibromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetic acid
Names & synonyms
DTXSID0011191111025127-49-42-[2,6-Dibromo-4-[[(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)imino]methyl]phenoxy]acetic acid(2,6-Dibromo-4-{[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)imino]methyl}phenoxy)acetic acid
Database identifiers
- CAS
1025127-49-4- PubChem CID
- 3909354
- DTXSID
DTXSID001119111
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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