3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline
Basic information
- CAS
52833-87-1- Standard SMILES
FC(F)(F)C1C=c2nc3c(cc2=C(SCc2ccccc2)O1)C=CCC3- InChIKey
DPEAHCJUVZGERX-UHFFFAOYSA-N- Molecular formula
- C20H16F3NOS
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.09046979
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline
- IUPAC
- 1-benzylsulfanyl-3-(trifluoromethyl)-6,7-dihydro-3H-pyrano[4,3-b]quinoline
Names & synonyms
3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline52833-87-16H-(1)Benzothiopyrano(4,3-b)quinoline, 3-(trifluoromethyl)-DTXSID009673011-(Benzylsulfanyl)-3-(trifluoromethyl)-6,7-dihydro-3H-pyrano[4,3-b]quinoline
Database identifiers
- CAS
52833-87-1- PubChem CID
- 6452736
- DTXSID
DTXSID00967301
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 724
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Compound notes
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