[3-Amino-4-(2-thienyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,4-difluorophenyl)methanone
Basic information
- CAS
515848-36-9- Standard SMILES
Nc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)(F)F)cc(-c3cccs3)c12- InChIKey
YVXVQXOMFZQKDU-UHFFFAOYSA-N- Molecular formula
- C19H9F5N2OS2
- Average molar mass
- 440.4 g/mol
Names & identifiers
- Preferred name
- [3-Amino-4-(2-thienyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,4-difluorophenyl)methanone
- IUPAC
- [3-amino-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanone
- English name
- [3-amino-4-(2-thienyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,4-difluorophenyl)methanone
- Molecular formula
- C19H9F5N2OS2
- Molecular weight
- 440.41
Names & synonyms
[3-amino-4-(2-thienyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,4-difluorophenyl)methanone[3-amino-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-difluorophenyl)methanoneAK-968/41926309STK317374AKOS003795576[3-amino-4-(thiophen-2-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,4-difluorophenyl)methanone515848-36-9Methanone, [3-amino-4-(2-thienyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,4-difluorophenyl)-
Database identifiers
- CAS
515848-36-9
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 624
Physicochemical properties
- Boiling point
- 608.7 · 608.7±55.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 1.69 · 1.69±0.40(Predicted)
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Compound notes
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