Basic information
- CAS
445382-83-2- Standard SMILES
Nc1c(C(=O)c2ccc3c(c2)OCCO3)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12- InChIKey
LTDZOELCHGOSBL-UHFFFAOYSA-N- Molecular formula
- C23H15F3N2O3S
- Average molar mass
- 456.4 g/mol
Names & identifiers
- Preferred name
- [3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
- IUPAC
- [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
- English name
- [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,3-dihydro-1,4-benzodioxin-6-yl)methanone
- Molecular formula
- C23H15F3N2O3S
- Molecular weight
- 456.44
Names & synonyms
445382-83-2[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,3-dihydro-1,4-benzodioxin-6-yl)methanoneAM-807/14146990STL000623AKOS003679238(3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanoneMethanone, [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](2,3-dihydro-1,4-benzodioxin-6-yl)-
Database identifiers
- CAS
445382-83-2
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- Boiling point
- 676.6 · 676.6±55.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- 1.28 · 1.28±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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