Basic information
- Standard SMILES
COc1ccc2c(c1)CCC(CC1C=CN(Cc3ccccc3[N+](=O)[O-])C=C1C(C)=O)C2=O- InChIKey
WFFIQSCWPVMJDB-UHFFFAOYSA-N- Molecular formula
- C26H26N2O5
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- 2-[[3-actyl-1-[(2-nitrophenyl)methyl]-4H-pyridin-4-yl]methyl]-6-methoxy-tetralin-1-one
- IUPAC
- 2-[[3-acetyl-1-[(2-nitrophenyl)methyl]-4H-pyridin-4-yl]methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
SCHEMBL17321084WFFIQSCWPVMJDB-UHFFFAOYSA-N2-[[3-actyl-1-[(2-nitrophenyl)methyl]-4H-pyridin-4-yl]methyl]-6-methoxy-tetralin-1-one
Database identifiers
- PubChem CID
- 118564187
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 816
Related reactions
1 records
Compound notes
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