Basic information
- CAS
306977-50-4- Standard SMILES
O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1- InChIKey
VWMUSTFENIUJII-UHFFFAOYSA-N- Molecular formula
- C23H19ClF3N3O
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.1168744
Names & identifiers
- Preferred name
- (4-Chlorophenyl)[3-(4-phenylpiperazino)-5-(trifluoromethyl)-2-pyridinyl]methanone
- IUPAC
- (4-chlorophenyl)-[3-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]methanone
- English name
- (4-CHLOROPHENYL)[3-(4-PHENYLPIPERAZINO)-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHANONE
- Molecular formula
- C23H19ClF3N3O
- Molecular weight
- 445.86
Names & synonyms
306977-50-41-[2-(4-chlorobenzoyl)-5-(trifluoromethyl)pyridin-3-yl]-4-phenylpiperazine(4-chlorophenyl)[3-(4-phenylpiperazino)-5-(trifluoromethyl)-2-pyridinyl]methanone(4-chlorophenyl)-[3-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)pyridin-2-yl]methanoneAKOS00508007912H-038Methanone, (4-chlorophenyl)[3-(4-phenyl-1-piperazinyl)-5-(trifluoromethyl)-2-pyridinyl]-
Database identifiers
- CAS
306977-50-4- PubChem CID
- 1487115
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Boiling point
- 601.3 · 601.3±55.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 5.07 · 5.07±0.40(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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