Basic information
- CAS
65427-81-8- Standard SMILES
COc1cccc(N2CCN(c3ccc4nonc4c3[N+](=O)[O-])CC2)c1- InChIKey
DJHIQHPEXFNWOR-UHFFFAOYSA-N- Molecular formula
- C17H17N5O4
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.12805404
Names & identifiers
- Preferred name
- Benzofurazan, 5-(4-(3-methoxyphenyl)-1-piperazinyl)-4-nitro-
- IUPAC
- 5-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole
Names & synonyms
65427-81-8BENZOFURAZAN, 5-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)-4-NITRO-5-(4-(3-Methoxyphenyl)-1-piperazinyl)-4-nitrobenzofurazanDTXSID802157565-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole
Database identifiers
- CAS
65427-81-8- PubChem CID
- 47634
- DTXSID
DTXSID80215756
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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