5-(5-Bromo-2-methoxyphenyl)-9-chloro-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Basic information
- CAS
892163-88-1- Standard SMILES
COc1ccc(Br)cc1C1Oc2ccc(Cl)cc2C2CC(c3ccc(C)cc3)=NN21- InChIKey
YHUYPDOUPNNQDF-UHFFFAOYSA-N- Molecular formula
- C24H20BrClN2O2
- Average molar mass
- 483.8 g/mol
- Monoisotopic mass
- 482.03967
Names & identifiers
- Preferred name
- 5-(5-Bromo-2-methoxyphenyl)-9-chloro-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 5-(5-bromo-2-methoxyphenyl)-9-chloro-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 5-(5-Bromo-2-methoxyphenyl)-9-chloro-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C24H20BrClN2O2
- Molecular weight
- 483.79
Names & synonyms
AKOS0244127265-(5-bromo-2-methoxyphenyl)-9-chloro-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(5-bromo-2-methoxyphenyl)-9-chloro-1,10b-dihydro-2-(4-methylphenyl)-
Database identifiers
- CAS
892163-88-1- PubChem CID
- 3854902
- EC Number
- 133-846-5
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 641
Physicochemical properties
- Boiling point
- 572.464 · 572.464±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.49 · 1.490±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.769 · 3.769±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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