Basic information
- CAS
61197-84-0- Standard SMILES
CCN1CCN(/C=C2/N=C3CN=C(c4ccccc4F)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1- InChIKey
VTAMBMUPYCMXFH-HMMYKYKNSA-N- Molecular formula
- C24H23FN6O3
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.18156678
Names & identifiers
- Preferred name
- 1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-2-((4-ethyl-1-piperazinyl)methylene)-6-(2-fluorophenyl)-8-nitro-
- IUPAC
- (2E)-2-[(4-ethylpiperazin-1-yl)methylidene]-6-(2-fluorophenyl)-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
Names & synonyms
1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-2-((4-ethyl-1-piperazinyl)methylene)-6-(2-fluorophenyl)-8-nitro-61197-84-0RefChem:1057879
Database identifiers
- CAS
61197-84-0- PubChem CID
- 3045862
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 907
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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