Dibenz(b,f)(1,4)oxazepine, 2-nitro-11-(1-piperazinyl)-
Basic information
- CAS
22000-41-5- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2- InChIKey
LQAWIWADIHYDAI-UHFFFAOYSA-N- Molecular formula
- C17H16N4O3
- Average molar mass
- 324.33 g/mol
- Monoisotopic mass
- 324.12224039
Names & identifiers
- Preferred name
- Dibenz(b,f)(1,4)oxazepine, 2-nitro-11-(1-piperazinyl)-
- IUPAC
- 8-nitro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Names & synonyms
Dibenz(b,f)(1,4)oxazepine, 2-nitro-11-(1-piperazinyl)-22000-41-52-Nitro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepineDTXSID40176435RefChem:337015DTXCID00989262-nitro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepineSCHEMBL11884330
Database identifiers
- CAS
22000-41-5- PubChem CID
- 210955
- DTXSID
DTXSID40176435
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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