Basic information
- CAS
553-36-6- Standard SMILES
O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)cc1- InChIKey
GNXXAEZDXSNKMT-UHFFFAOYSA-N- Molecular formula
- C28H28N6O2
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.22737416
Names & identifiers
- Preferred name
- N,N'-Bis(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-1,4-benzenedicarboxamide
- IUPAC
- 1-N,4-N-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide
Names & synonyms
Terephthalanilide, 4',4''-bis(1,4,5,6-tetrahydro-2-pyrimidinyl)-N,N'-Bis(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-1,4-benzenedicarboxamide553-36-6BRN 07717265-25-11-00055 (Beilstein Handbook Reference)GNF-Pf-5375CHEMBL1198270DTXSID502038221,4-Benzenedicarboxamide, N,N'-bis(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-N~1~,N~4~-Bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide
Database identifiers
- CAS
553-36-6- PubChem CID
- 6311
- DTXSID
DTXSID50203822- ChEMBL
CHEMBL1198270
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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