Basic information
- Standard SMILES
COc1ccc(CN2C(=O)[C@@H]3C/C=C\C[C@H]2C(=O)N3c2ccc3ccccc3c2)c(OC)c1- InChIKey
SCQQAZWEOSGHEC-IBIPGRCGSA-N- Molecular formula
- C27H26N2O4
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- Z-(1S,6S)-7-(2,4-Dimethoxy-benzyl)-9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-ene-8,10-dione
- IUPAC
- (1S,3Z,6S)-7-[(2,4-dimethoxyphenyl)methyl]-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
Names & synonyms
SCHEMBL4889832SCQQAZWEOSGHEC-IBIPGRCGSA-NZ-(1S,6S)-7-(2,4-Dimethoxy-benzyl)-9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-ene-8,10-dione
Database identifiers
- PubChem CID
- 69230528
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 754
Related reactions
2 records
Compound notes
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