Basic information
- CAS
956916-15-7- Standard SMILES
CC1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)CC(C)O1- InChIKey
SMFDACZXJAVNJF-CFRMEGHHSA-N- Molecular formula
- C27H24N4O3S
- Average molar mass
- 484.6 g/mol
Names & identifiers
- Preferred name
- (Z)-5-((3-(benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(2,6-dimethylmorpholino)thiazol-4(5H)-one
- IUPAC
- (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one
- English name
- 5-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(2,6-dimethyl-4-morpholinyl)-1,3-thiazol-4(5H)-one
- Molecular formula
- C27H24N4O3S
- Molecular weight
- 484.57
Names & synonyms
956916-15-7(Z)-5-((3-(benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(2,6-dimethylmorpholino)thiazol-4(5H)-oneAKOS001695183AKOS016079305(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-oneST50097623AF-399/42017246F1673-4995(5Z)-5-{[3-(1-BENZOFURAN-2-YL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-2-(2,6-DIMETHYLMORPHOLIN-4-YL)-4,5-DIHYDRO-1,3-THIAZOL-4-ONE5-[(3-benzo[d]furan-2-yl-1-phenylpyrazol-4-yl)methylene]-2-(2,6-dimethylmorpho lin-4-yl)-1,3-thiazolin-4-one5-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(2,6-dimethyl-4-morpholinyl)-1,3-thiazol-4(5H)-one
Database identifiers
- CAS
956916-15-7
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 849
Physicochemical properties
- Boiling point
- 672.77 · 672.770±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.386 · 1.386±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.974 · 1.974±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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