5-(3-Bromo-4-methoxyphenyl)-9-chloro-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
Basic information
- CAS
892164-43-1- Standard SMILES
COc1ccc(C2=NN3C(C2)c2cc(Cl)ccc2OC3c2ccc(OC)c(Br)c2)cc1- InChIKey
BOVSVCUIZZRMRD-UHFFFAOYSA-N- Molecular formula
- C24H20BrClN2O3
- Average molar mass
- 499.8 g/mol
- Monoisotopic mass
- 498.03458
Names & identifiers
- Preferred name
- 5-(3-Bromo-4-methoxyphenyl)-9-chloro-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
- IUPAC
- 5-(3-bromo-4-methoxyphenyl)-9-chloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 5-(3-Bromo-4-methoxyphenyl)-9-chloro-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C24H20BrClN2O3
- Molecular weight
- 499.78
Names & synonyms
AKOS0244127415-(3-BROMO-4-METHOXYPHENYL)-9-CHLORO-2-(4-METHOXYPHENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE5H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(3-bromo-4-methoxyphenyl)-9-chloro-1,10b-dihydro-2-(4-methoxyphenyl)-
Database identifiers
- CAS
892164-43-1- PubChem CID
- 3550992
- EC Number
- 133-865-9
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 596.538 · 596.538±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.509 · 1.509±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4 · 4.000±0.40(predicted)
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Compound notes
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