Basic information
- CAS
83803-49-0- Standard SMILES
CCCCCC(C=Nc1ccccc1C(=O)OCc1ccccc1)=Cc1ccccc1- InChIKey
UOPPNCPBLNRIMU-UHFFFAOYSA-N- Molecular formula
- C28H29NO2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.21982917
Names & identifiers
- Preferred name
- Benzyl 2-[(2-benzylideneheptylidene)amino]benzoate
- IUPAC
- benzyl 2-(2-benzylideneheptylideneamino)benzoate
Names & synonyms
DTXSID101178536NS00060371Benzyl 2-[(2-benzylideneheptylidene)amino]benzoatePhenylmethyl 2-[[2-(phenylmethylene)heptylidene]amino]benzoate
Database identifiers
- CAS
83803-49-0- PubChem CID
- 3019331
- DTXSID
DTXSID101178536
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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