5(4H)-Isoxazolone, 4-(2-(1,3-dihydro-1,3-dimethyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)ethylidene)-3-phenyl-
Basic information
- CAS
65122-12-5- Standard SMILES
CN1C(=CC=C2C(=O)ON=C2c2ccccc2)N(C)c2nc3ccccc3nc21- InChIKey
NZFBAOUMSKCDBC-UHFFFAOYSA-N- Molecular formula
- C22H17N5O2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.1382248
Names & identifiers
- Preferred name
- 5(4H)-Isoxazolone, 4-(2-(1,3-dihydro-1,3-dimethyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)ethylidene)-3-phenyl-
- IUPAC
- 4-[2-(1,3-dimethylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-3-phenyl-1,2-oxazol-5-one
Names & synonyms
65122-12-5DTXSID00702355(4H)-Isoxazolone, 4-[2-(1,3-dihydro-1,3-dimethyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-3-phenyl-RefChem:298046DTXCID70445085(4H)-Isoxazolone, 4-(2-(1,3-dihydro-1,3-dimethyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)ethylidene)-3-phenyl-NZFBAOUMSKCDBC-UHFFFAOYSA-N
Database identifiers
- CAS
65122-12-5- PubChem CID
- 3085309
- DTXSID
DTXSID0070235
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 726
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5(4H)-Isoxazolone, 4-[2-(1,3-dihydro-1,3-dimethyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-3-phenyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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