Basic information
- CAS
2121991-20-4- Standard SMILES
CCOc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(C(C)(C)C)cc3)C2c2ccc(OC(C)C)c(OC)c2)c1- InChIKey
WNADVFGUMRIZTB-SJCQXOIGSA-N- Molecular formula
- C33H37NO6
- Average molar mass
- 543.6 g/mol
- Monoisotopic mass
- 543.2620879
Names & identifiers
- Preferred name
- 2H-Pyrrol-2-one, 1-[4-(1,1-dimethylethyl)phenyl]-4-(3-ethoxybenzoyl)-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(1-methylethoxy)phenyl]-
- IUPAC
- (4E)-1-(4-tert-butylphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
Names & synonyms
DTXSID5011026382121991-20-42H-Pyrrol-2-one, 1-[4-(1,1-dimethylethyl)phenyl]-4-(3-ethoxybenzoyl)-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(1-methylethoxy)phenyl]-
Database identifiers
- CAS
2121991-20-4- PubChem CID
- 165366751
- DTXSID
DTXSID501102638
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 914
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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