2-(Hydroxy(oxido)amino)-N(1),N(4)-bis(4-(((3-methoxypropyl)imino)(methylamino)methyl)phenyl)terephthalamide
Basic information
- CAS
21696-32-2- Standard SMILES
CN=C(NCCCOC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NCCCOC)cc3)c([N+](=O)[O-])c2)cc1- InChIKey
VYSWZPPEEKUUKN-UHFFFAOYSA-N- Molecular formula
- C32H39N7O6
- Average molar mass
- 617.7 g/mol
- Monoisotopic mass
- 617.29618199
Names & identifiers
- Preferred name
- 2-(Hydroxy(oxido)amino)-N(1),N(4)-bis(4-(((3-methoxypropyl)imino)(methylamino)methyl)phenyl)terephthalamide
- IUPAC
- 1-N,4-N-bis[4-[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]phenyl]-2-nitrobenzene-1,4-dicarboxamide
Names & synonyms
21696-32-2NSC 66739NSC667392-(Hydroxy(oxido)amino)-N(1),N(4)-bis(4-(((3-methoxypropyl)imino)(methylamino)methyl)phenyl)terephthalamide2-(Hydroxy(oxido)amino)-N~1~,N~4~-bis(4-(((3-methoxypropyl)imino)(methylamino)methyl)phenyl)terephthalamideN4-[4-[(E)-N'-(3-methoxypropyl)-N-methyl-carbamimidoyl]phenyl]-N1-[4-[(Z)-N'-(3-methoxypropyl)-N-methyl-carbamimidoyl]phenyl]-2-nitro-terephthalamide
Database identifiers
- CAS
21696-32-2- PubChem CID
- 415073
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 987
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Compound notes
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