Basic information
- Standard SMILES
O=C1N(Cc2ccc(C(F)(F)F)cn2)c2ccccc2C12COc1cc3c(cc12)OCOC3- InChIKey
VWBJFLBSAMKBSM-UHFFFAOYSA-N- Molecular formula
- C24H17F3N2O4
- Average molar mass
- 454.4 g/mol
Names & identifiers
- Preferred name
- 1'-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,3]benzodioxine-8,3'-indol]-2'(1'H)-one
- IUPAC
- 1'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]spiro[4,7-dihydrofuro[2,3-g][1,3]benzodioxine-8,3'-indole]-2'-one
Names & synonyms
1'-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,3]benzodioxine-8,3'-indol]-2'(1'H)-oneSCHEMBL2305544
Database identifiers
- PubChem CID
- 67357002
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
3 records
Compound notes
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