N1,N4-Bis[4-[imino[(3-methoxypropyl)amino]methyl]phenyl]-1,4-benzenedicarboxamide
Basic information
- CAS
555-49-7- Standard SMILES
COCCCN=C(N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=NCCCOC)cc3)cc2)cc1- InChIKey
GNYPJYIKILDIJZ-UHFFFAOYSA-N- Molecular formula
- C30H36N6O4
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.27980365
Names & identifiers
- Preferred name
- N1,N4-Bis[4-[imino[(3-methoxypropyl)amino]methyl]phenyl]-1,4-benzenedicarboxamide
- IUPAC
- 1-N,4-N-bis[4-[N'-(3-methoxypropyl)carbamimidoyl]phenyl]benzene-1,4-dicarboxamide
Names & synonyms
CHEMBL535948DTXSID701133447N1,N4-Bis[4-[imino[(3-methoxypropyl)amino]methyl]phenyl]-1,4-benzenedicarboxamide555-49-7N~1~,N~4~-Bis{4-[N-(3-methoxypropyl)carbamimidoyl]phenyl}benzene-1,4-dicarboxamide
Database identifiers
- CAS
555-49-7- PubChem CID
- 414877
- DTXSID
DTXSID701133447- ChEMBL
CHEMBL535948
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 758
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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