Basic information
- Standard SMILES
O=C1N(Cc2ccc(-c3ccno3)cc2)c2ccccc2C12COc1cc3c(cc12)OCCO3- InChIKey
JVIMKISWOGVTRA-UHFFFAOYSA-N- Molecular formula
- C27H20N2O5
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.13722174
Names & identifiers
- Preferred name
- 1'-(4-isoxazol-5-ylbenzyl)-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one
- IUPAC
- 1'-[[4-(1,2-oxazol-5-yl)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
Names & synonyms
SCHEMBL3330373JVIMKISWOGVTRA-UHFFFAOYSA-N1'-(4-isoxazol-5-ylbenzyl)-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one
Database identifiers
- PubChem CID
- 59352109
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 772
Related reactions
2 records
Compound notes
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