3H-Pyrazol-3-one, 2,4-dihydro-2-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-4-(phenylmethylene)-
Basic information
- CAS
119457-24-8- Standard SMILES
CC1=NN(C(=O)Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)C(=O)/C1=C/c1ccccc1- InChIKey
OBCRXNFLTYMEMF-CPNJWEJPSA-N- Molecular formula
- C27H18BrN5O2
- Average molar mass
- 524.4 g/mol
- Monoisotopic mass
- 523.06439
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2,4-dihydro-2-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-4-(phenylmethylene)-
- IUPAC
- (4E)-4-benzylidene-2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one
Names & synonyms
119457-24-83H-Pyrazol-3-one, 2,4-dihydro-2-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-4-(phenylmethylene)-RefChem:1068983
Database identifiers
- CAS
119457-24-8- PubChem CID
- 6450784
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 915
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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