Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate
Basic information
- CAS
5469-98-7- Standard SMILES
CCOC(=O)C(C#N)C(=Nc1ccc(C)cc1)C(c1ccccc1)c1ccccc1- InChIKey
IGTCKGFNPVAETE-UHFFFAOYSA-N- Molecular formula
- C26H24N2O2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.18377801
Names & identifiers
- Preferred name
- Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate
- IUPAC
- ethyl 2-cyano-3-(4-methylphenyl)imino-4,4-diphenylbutanoate
Names & synonyms
5469-98-7NSC26936DTXSID90328427Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoateNSC-26936
Database identifiers
- CAS
5469-98-7- PubChem CID
- 410178
- DTXSID
DTXSID90328427
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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