4-Benzyl-6-{[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene}cyclohexa-2,4-dien-1-one
Basic information
- CAS
5596-13-4- Standard SMILES
Cc1ccc2oc(-c3cccc(N=Cc4cc(Cc5ccccc5)ccc4O)c3)nc2c1- InChIKey
VZKHTHOHSXOUJB-UHFFFAOYSA-N- Molecular formula
- C28H22N2O2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.16812795
Names & identifiers
- Preferred name
- 4-Benzyl-6-{[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene}cyclohexa-2,4-dien-1-one
- IUPAC
- 4-benzyl-2-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
Names & synonyms
5596-13-4ZINC01947828Oprea1_193509DTXSID70425766AKOS0016059124-benzyl-2-({[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenol4-Benzyl-6-{[3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene}cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
5596-13-4- PubChem CID
- 5222993
- DTXSID
DTXSID70425766
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…