2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
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Basic information
- CAS
1005065-85-9- Standard SMILES
COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)C(c4ccc(C(F)(F)F)cc4)C3C2=O)cc1- InChIKey
WFPOBVUWSZPAPJ-UHFFFAOYSA-N- Molecular formula
- C25H18ClF3N2O4
- Average molar mass
- 502.9 g/mol
- Monoisotopic mass
- 502.0907192
Names & identifiers
- Preferred name
- 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
- IUPAC
- 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
- English name
- 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
- Molecular formula
- C25H18ClF3N2O4
- Molecular weight
- 502.8696296
Names & synonyms
2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dioneSTL020459AKOS002312183AKOS0163179252-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dioneST50488047AP-906/419283662-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-2,4,5,6,3 a,6a-hexahydro-4-oxa-2,5-diazapentalene-1,3-dione2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 2-(4-chlorophenyl)dihydro-5-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
1005065-85-9- PubChem CID
- 5098247
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- Boiling point
- 677.3 · 677.3±65.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- -0.34 · -0.34±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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