Basic information
- CAS
52128-42-4- Standard SMILES
CC(=O)O.Nc1nc(N)c2c(Cl)c(CNc3cccc(Br)c3)ccc2n1- InChIKey
JJWMGLUQJLOMGV-UHFFFAOYSA-N- Molecular formula
- C17H17BrClN5O2
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 437.02542
Names & identifiers
- Preferred name
- Acetic acid;6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine
- IUPAC
- acetic acid;6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine
Names & synonyms
52128-42-4NSC289534DTXSID30314884NSC-289534Acetic acid--6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine (1/1)
Database identifiers
- CAS
52128-42-4- PubChem CID
- 324366
- DTXSID
DTXSID30314884
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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