Basic information
- CAS
77579-68-1- Standard SMILES
CCC(c1ccc(OC)cc1)C(NCC(=O)NN=Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1- InChIKey
ONTFSPZNMFKTJV-UHFFFAOYSA-N- Molecular formula
- C27H30N4O5
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.22162007
Names & identifiers
- Preferred name
- {[1,2-Bis(4-methoxyphenyl)butyl]amino}-N-[(2-nitrophenyl)methylidene]ethanehydrazonic acid
- IUPAC
- 2-[1,2-bis(4-methoxyphenyl)butylamino]-N-[(2-nitrophenyl)methylideneamino]acetamide
Names & synonyms
DTXSID30998789{[1,2-Bis(4-methoxyphenyl)butyl]amino}-N-[(2-nitrophenyl)methylidene]ethanehydrazonic acid2-{[1,2-Bis(4-methoxyphenyl)butyl]amino}-N-[(2-nitrophenyl)methylidene]ethanehydrazonic acid
Database identifiers
- CAS
77579-68-1- PubChem CID
- 330116
- DTXSID
DTXSID30998789
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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