Basic information
- CAS
412962-56-2- Standard SMILES
O=C1OC(c2ccccc2)=NC1=C(Sc1nc2ccccc2o1)c1ccccc1- InChIKey
LANVKGJNKCBSFG-UHFFFAOYSA-N- Molecular formula
- C23H14N2O3S
- Average molar mass
- 398.4 g/mol
Names & identifiers
- Preferred name
- 4-[1,3-Benzoxazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
- IUPAC
- 4-[1,3-benzoxazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
- English name
- 4-[(1,3-benzoxazol-2-ylsulfanyl)(phenyl)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
- Molecular formula
- C23H14N2O3S
- Molecular weight
- 398.44
Names & synonyms
CBMicro_0107104-[(1,3-benzoxazol-2-ylsulfanyl)(phenyl)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
412962-56-2
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Boiling point
- 549.873 · 549.873±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.354 · 1.354±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.378 · 0.378±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…