Basic information
- CAS
65427-74-9- Standard SMILES
COc1cccc(N2CCN(c3ccc([N+](=O)[O-])c4nonc34)CC2)c1- InChIKey
MLIASOISZLJCBD-UHFFFAOYSA-N- Molecular formula
- C17H17N5O4
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.12805404
Names & identifiers
- Preferred name
- Benzofurazan, 4-(4-(3-methoxyphenyl)-1-piperazinyl)-7-nitro-
- IUPAC
- 7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole
Names & synonyms
BENZOFURAZAN, 4-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)-7-NITRO-65427-74-9BFZ 114-(4-(3-Methoxyphenyl)-1-piperazinyl)-7-nitrobenzofurazanDTXSID202157504-[4-(3-methoxyphenyl)piperazin-1-yl]-7-nitro-2,1,3-benzoxadiazole
Database identifiers
- CAS
65427-74-9- PubChem CID
- 47629
- DTXSID
DTXSID20215750- Nikkaji
- J71.572G
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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