Agn-PC-0K7rbe
Basic information
- CAS
6871-40-5- Standard SMILES
COc1cc(C=CC(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C- InChIKey
MISDIRAZRKAHCE-UHFFFAOYSA-N- Molecular formula
- C25H23NO5
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.15762283
Names & identifiers
- Preferred name
- Agn-PC-0K7rbe
- IUPAC
- N-(1,3-benzodioxol-5-yl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
Names & synonyms
6871-40-5AGN-PC-0K7RBEDTXSID30411009N-(2H-1,3-Benzodioxol-5-yl)-3-{3-methoxy-4-[(2-methylphenyl)methoxy]phenyl}prop-2-enamide
Database identifiers
- CAS
6871-40-5- PubChem CID
- 5220737
- DTXSID
DTXSID30411009
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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