Basic information
- Standard SMILES
CCN(CCCOc1cc2ccccc2oc1=O)CC1COc2ccccc2O1- InChIKey
FYCRKXWWFDINLW-UHFFFAOYSA-N- Molecular formula
- C23H25NO5
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.1732729
Names & identifiers
- Preferred name
- 3-[[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]ethylamino]propoxyl-2H-1-benzopyran-2-one
- IUPAC
- 3-[3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]propoxy]chromen-2-one
Names & synonyms
FYCRKXWWFDINLW-UHFFFAOYSA-N3-[[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]ethylamino]propoxyl-2H-1-benzopyran-2-one
Database identifiers
- PubChem CID
- 86746375
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 580
Related reactions
1 records
Compound notes
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