2,2a(2)-(1,4-Phenylene)bis[4-[(4-chlorophenyl)methylene]-5(4H)-oxazolone]
Basic information
- CAS
85391-56-6- Standard SMILES
O=C1OC(c2ccc(C3=NC(=Cc4ccc(Cl)cc4)C(=O)O3)cc2)=NC1=Cc1ccc(Cl)cc1- InChIKey
NKZVURJGEMOKSH-UHFFFAOYSA-N- Molecular formula
- C26H14Cl2N2O4
- Average molar mass
- 489.3 g/mol
- Monoisotopic mass
- 488.0330623
Names & identifiers
- Preferred name
- 2,2a(2)-(1,4-Phenylene)bis[4-[(4-chlorophenyl)methylene]-5(4H)-oxazolone]
- IUPAC
- 4-[(4-chlorophenyl)methylidene]-2-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-one
Names & synonyms
NKZVURJGEMOKSH-UHFFFAOYSA-NDTXSID801153773NS000640432,2'-(1,4-Phenylene)bis{4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5(4H)-one}2,2a(2)-(1,4-Phenylene)bis[4-[(4-chlorophenyl)methylene]-5(4H)-oxazolone]
Database identifiers
- CAS
85391-56-6- PubChem CID
- 57354595
- DTXSID
DTXSID801153773
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 856
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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