Basic information
- CAS
61785-84-0- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c2c1no[n+]2[O-]- InChIKey
HXSYYCOFWSTFAE-UHFFFAOYSA-N- Molecular formula
- C17H17N5O4
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.12805404
Names & identifiers
- Preferred name
- Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide
- IUPAC
- 4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
- English name
- 7-(4-Benzyl-1-piperazinyl)-4-nitrobenzofurazane 1-oxide
- Molecular formula
- C17H17N5O4
- Molecular weight
- 355.35
Names & synonyms
61785-84-07-(Benzylpiperazinyl)-4-nitrobenzofuroxanMLS003115152BENZOFURAZAN, 7-(4-BENZYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDENSC228099LZ6FG54Y5X7-(4-Benzyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-iumNSC-228099SMR001830735Benzofurazan, 4-nitro-7-[4-(phenylmethyl)-1-piperazinyl]-, 1-oxideNSC 228099
Show more names
4-Nitro-7-(4-benzyl-1-piperazinyl)benzofurazan 1-oxide4-Nitro-7-(4-benzyl-1-piperazinyl)benzofurazane 1-oxide2,1,3-Benzoxadiazole, 4-nitro-7-[4-(phenylmethyl)-1-piperazinyl]-, 1-oxide
Benzofuran, 4-nitro-7-(4-(phenylmethyl)-1-piperazinyl)-, 1-oxideUNII-LZ6FG54Y5Xcid_43795CHEMBL1869423BDBM935577-(4-Benzyl-1-piperazinyl)-4-nitrobenzofurazane 1-oxideDTXSID60210784DB-318202
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- FDA UNII
- 6 FG54Y5X · LZ6FG54Y5X
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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