Basic information
- CAS
327099-33-2- Standard SMILES
COc1cc(Cl)cc(Cl)c1C1Oc2ccccc2C2CC(c3ccccc3)=NN21- InChIKey
NMMVKCAXDYRXFC-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N2O2
- Average molar mass
- 425.3 g/mol
Names & identifiers
- Preferred name
- 5-(2,4-Dichloro-6-methoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 5-(2,4-dichloro-6-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 5-(2,4-dichloro-6-methoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C23H18Cl2N2O2
- Molecular weight
- 425.31
Names & synonyms
327099-33-25-(2,4-dichloro-6-methoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5-(2,4-dichloro-6-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazineOprea1_264257AN-512/12673185STL296086AKOS0221158455-(2,4-dichloro-6-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(2,4-dichloro-6-methoxyphenyl)-1,10b-dihydro-2-phenyl-
Database identifiers
- CAS
327099-33-2
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 541.5 · 541.5±60.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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