Basic information
- CAS
338409-89-5- Standard SMILES
O=C(C(=O)N1CCOCC1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12- InChIKey
KTFYHHINMJJUGS-UHFFFAOYSA-N- Molecular formula
- C20H15ClF3N3O3
- Average molar mass
- 437.8 g/mol
- Monoisotopic mass
- 437.0754035
Names & identifiers
- Preferred name
- 1-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-2-morpholino-1,2-ethanedione
- IUPAC
- 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
- English name
- 1-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-INDOL-3-YL)-2-MORPHOLINO-1,2-ETHANEDIONE
- Molecular formula
- C20H15ClF3N3O3
- Molecular weight
- 437.8
Names & synonyms
338409-89-51-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-2-morpholino-1,2-ethanedione1-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-1,2-dione1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dioneAKOS0050879783H-9011-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-INDOL-3-YL)-2-MORPHOLINO-1,2-ETHANEDIONE1,2-Ethanedione, 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl]-2-(4-morpholinyl)-
Database identifiers
- CAS
338409-89-5- PubChem CID
- 4267807
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 486.5 · 486.5±55.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -1.43 · -1.43±0.39(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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