Ethyl 2-acetyl-3-(4-methylphenyl)imino-4,4-diphenylbutanoate
Basic information
- CAS
5470-00-8- Standard SMILES
CCOC(=O)C(C(C)=O)C(=Nc1ccc(C)cc1)C(c1ccccc1)c1ccccc1- InChIKey
WLCUUBFRONFYIG-UHFFFAOYSA-N- Molecular formula
- C27H27NO3
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.19909372
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-3-(4-methylphenyl)imino-4,4-diphenylbutanoate
- IUPAC
- ethyl 2-acetyl-3-(4-methylphenyl)imino-4,4-diphenylbutanoate
Names & synonyms
5470-00-8NSC26938DTXSID201167861NSC-26938Ethyl 2-acetyl-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoateEthyl I+/--acetyl-I(2)-[(4-methylphenyl)imino]-I(3)-phenylbenzenebutanoate
Database identifiers
- CAS
5470-00-8- PubChem CID
- 410180
- DTXSID
DTXSID201167861
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 590
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Compound notes
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