Basic information
- CAS
330834-63-4- Standard SMILES
COc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccccc2OC)cc1- InChIKey
PKUHOXJENXEMMM-UHFFFAOYSA-N- Molecular formula
- C24H22N2O3
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.16304257
Names & identifiers
- Preferred name
- 5-(2-Methoxyphenyl)-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 5-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 5-(2-Methoxy-Ph)-2-(4-methoxy-Ph)-1,10b-dihydropyrazolo(1,5-c)(1,3)benzoxazine
- Molecular formula
- C24H22N2O3
- Molecular weight
- 386.44
Names & synonyms
5-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazineOprea1_060035STK012668AKOS001641529AKOS021998950SR-01000475282SR-01000475282-15-(2-METHOXY-PH)-2-(4-METHOXY-PH)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINE5-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 1,10b-dihydro-5-(2-methoxyphenyl)-2-(4-methoxyphenyl)-
Database identifiers
- CAS
330834-63-4- PubChem CID
- 3901902
- EC Number
- 126-714-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Boiling point
- 539.798 · 539.798±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.249 · 1.249±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.556 · 4.556±0.40(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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