Basic information
- CAS
853892-92-9- Standard SMILES
COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccc(F)cc2)C4)cc1- InChIKey
PXYOGWFHUSGTGE-UHFFFAOYSA-N- Molecular formula
- C25H20FNO4
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- 9-(4-fluorobenzyl)-4-(4-methoxyphenyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
- IUPAC
- 9-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
- English name
- 9-(4-fluorobenzyl)-4-(4-methoxyphenyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
- Molecular formula
- C25H20FNO4
- Molecular weight
- 417.43
Names & synonyms
9-(4-fluorobenzyl)-4-(4-methoxyphenyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one853892-92-99-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-oneCHEMBL591623EiM07-20700MMV000604NSC766685STL463069AKOS001516067NSC-766685ST50327608AS-871/43478457
Show more names
2H,8H-Pyrano[2,3-f][1,3]benzoxazin-2-one, 9-[(4-fluorophenyl)methyl]-9,10-dihydro-4-(4-methoxyphenyl)-
9-(4-fluorobenzyl)-4-(4-methoxyphenyl)-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one9-[(4-FLUOROPHENYL)METHYL]-4-(4-METHOXYPHENYL)-2H,8H,9H,10H-CHROMENO[8,7-E][1,3]OXAZIN-2-ONE9-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-8H,10H-chromeno[8,7-e]1,3-oxaza perhydroin-2-one
Database identifiers
- CAS
853892-92-9- ChEMBL
CHEMBL591623
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 583.7 · 583.7±50.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.40(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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