2-[1-(4-Chlorophenyl)tetrazol-5-yl]-1-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
Basic information
- CAS
352319-43-8- Standard SMILES
CN(C)C=C(C(=O)c1ccc(F)cc1F)c1nnnn1-c1ccc(Cl)cc1- InChIKey
RMXRRHPVAYMCJC-UHFFFAOYSA-N- Molecular formula
- C18H14ClF2N5O
- Average molar mass
- 389.8 g/mol
Names & identifiers
- Preferred name
- 2-[1-(4-Chlorophenyl)tetrazol-5-yl]-1-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
- IUPAC
- 2-[1-(4-chlorophenyl)tetrazol-5-yl]-1-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
- English name
- 2-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-propen-1-one
- Molecular formula
- C18H14ClF2N5O
- Molecular weight
- 389.79
Names & synonyms
2-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-1-(2,4-difluorophenyl)-3-(dimethylamino)-2-propen-1-one
Database identifiers
- CAS
352319-43-8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Boiling point
- 520.762 · 520.762±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.377 · 1.377±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.005 · 2.005±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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