2-(3-Methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
Basic information
- CAS
892169-37-8- Standard SMILES
COc1cccc(C2=NN3C(C2)c2ccccc2OC3c2ccc(OC)c(OC)c2OC)c1- InChIKey
DTWIAOWCRRLBAN-UHFFFAOYSA-N- Molecular formula
- C26H26N2O5
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.18417193
Names & identifiers
- Preferred name
- 2-(3-Methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
- IUPAC
- 2-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 2-(3-Methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C26H26N2O5
- Molecular weight
- 446.5
Names & synonyms
AKOS0244128732-(3-METHOXYPHENYL)-5-(2,3,4-TRIMETHOXYPHENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE5H-Pyrazolo[1,5-c][1,3]benzoxazine, 1,10b-dihydro-2-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-
Database identifiers
- CAS
892169-37-8- PubChem CID
- 4339682
- EC Number
- 134-027-5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 690
Physicochemical properties
- Boiling point
- 582.03 · 582.030±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.266 · 1.266±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.728 · 3.728±0.40(predicted)
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