Basic information
- Standard SMILES
O=Cc1ccc2c(c1)CCc1c-2noc1-c1onc(-c2ccccc2)c1C(F)(F)F- InChIKey
KTCFWJNZSYJABT-UHFFFAOYSA-N- Molecular formula
- C22H13F3N2O3
- Average molar mass
- 410.3 g/mol
- Monoisotopic mass
- 410.08782677
Names & identifiers
- Preferred name
- 3-(3-Phenyl-4-(trifluoromethyl)isoxazol-5-yl)-4,5-dihydronaphtho[1,2-c]isoxazole-7-carbaldehyde
- IUPAC
- 3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole-7-carbaldehyde
Names & synonyms
3-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-4,5-dihydronaphtho[1,2-c]isoxazole-7-carbaldehydeSCHEMBL1810618
Database identifiers
- PubChem CID
- 86669876
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 627
Related reactions
2 records
Compound notes
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