5,6-Bis{[2-nitro-4-(methyloxy)phenyl]amino}[1,2,5]oxadiazolo[3,4-b]pyrazine
Basic information
- CAS
210302-28-6- Standard SMILES
COc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
FCSAHCICABQVFE-UHFFFAOYSA-N- Molecular formula
- C18H14N8O7
- Average molar mass
- 454.4 g/mol
Names & identifiers
- Preferred name
- 5,6-Bis{[2-nitro-4-(methyloxy)phenyl]amino}[1,2,5]oxadiazolo[3,4-b]pyrazine
- IUPAC
- 5-N,6-N-bis(4-methoxy-2-nitrophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
- English name
- 5,6-bis{[2-nitro-4-(methyloxy)phenyl]amino}[1,2,5]oxadiazolo[3,4-b]pyrazine
- Molecular formula
- C18H14N8O7
- Molecular weight
- 454.35316
Names & synonyms
5,6-bis{[2-nitro-4-(methyloxy)phenyl]amino}[1,2,5]oxadiazolo[3,4-b]pyrazineOprea1_2690465-N,6-N-bis(4-methoxy-2-nitrophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamineAG-690/13153928
Database identifiers
- CAS
210302-28-6
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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