Basic information
- CAS
5300-79-8- Standard SMILES
CN(C)C(=N)c1cccc(N(C(=O)c2cccc(C(N)=O)c2)c2cccc(C(=N)N(C)C)c2)c1- InChIKey
BDNOETLXMHJRBT-UHFFFAOYSA-N- Molecular formula
- C26H28N6O2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.22737416
Names & identifiers
- Preferred name
- N~1~,N~1~-Bis[3-(N,N-dimethylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamide
- IUPAC
- 3-N,3-N-bis[3-(N,N-dimethylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamide
Names & synonyms
DTXSID60701041N~1~,N~1~-Bis[3-(N,N-dimethylcarbamimidoyl)phenyl]benzene-1,3-dicarboxamide
Database identifiers
- CAS
5300-79-8- PubChem CID
- 53437293
- DTXSID
DTXSID60701041
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 726
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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