Basic information
- CAS
73-53-0- Standard SMILES
Cl.Cl.O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)cc1- InChIKey
YJKHWWLMQNQVAG-UHFFFAOYSA-N- Molecular formula
- C28H30Cl2N6O2
- Average molar mass
- 553.5 g/mol
- Monoisotopic mass
- 552.1807296
Names & identifiers
- Preferred name
- Phthalanilide 6
- IUPAC
- 1-N,4-N-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
Names & synonyms
Phthalanilide 673-53-0NSH4GY380PNSC 57153HR 2164FDA 00904',4''-Bis(1,4,5,6-tetrahydro-2-pyrimidinyl)terephthalanilide dihydrochlorideTerephthalanilide, 4',4''-bis(1,4,5,6-tetrahydro-2-pyrimidinyl)-, dihydrochloride1,4-Benzenedicarboxamide, N,N'-bis(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)-, dihydrochlorideNSC-57153UNII-NSH4GY380PDTXSID501018952
Show more names
Q272850361,4-BENZENEDICARBOXAMIDE, N1,N4-BIS(4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)-, HYDROCHLORIDE (1:2)N~1~,N~4~-Bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide--hydrogen chloride (1/2)
Database identifiers
- CAS
73-53-0- PubChem CID
- 6310
- DTXSID
DTXSID501018952- UNII
- NSH4GY380P
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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