Basic information
- CAS
21696-35-5- Standard SMILES
CCN=C(c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCC)N(CC)CC)cc3)cc2)cc1)N(CC)CC- InChIKey
XDLLAQPSOYARII-UHFFFAOYSA-N- Molecular formula
- C34H44N6O2
- Average molar mass
- 568.8 g/mol
- Monoisotopic mass
- 568.35257467
Names & identifiers
- Preferred name
- N~1~,N~4~-Bis(4-((diethylamino)(ethylimino)methyl)phenyl)terephthalamide
- IUPAC
- 1-N,4-N-bis[4-(N,N,N'-triethylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide
Names & synonyms
21696-35-5NSC 69397NSC69397N(1),N(4)-Bis(4-((diethylamino)(ethylimino)methyl)phenyl)terephthalamideN~1~,N~4~-Bis(4-((diethylamino)(ethylimino)methyl)phenyl)terephthalamideN1,N4-bis[4-[(Z)-N,N,N'-triethylcarbamimidoyl]phenyl]terephthalamide
Database identifiers
- CAS
21696-35-5- PubChem CID
- 415374
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…