3-(4-bromophenyl)-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Basic information
- CAS
342615-51-4- Standard SMILES
O=C1C2ON(c3ccccc3)C(c3ccc(Br)cc3)C2C(=O)N1c1ccccc1C(F)(F)F- InChIKey
FWUSQWTUKCTQJP-UHFFFAOYSA-N- Molecular formula
- C24H16BrF3N2O3
- Average molar mass
- 517.3 g/mol
- Monoisotopic mass
- 516.02964
Names & identifiers
- Preferred name
- 3-(4-bromophenyl)-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
- IUPAC
- 3-(4-bromophenyl)-2-phenyl-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
- English name
- 3-(4-Br-Ph)-2-Ph-5-(2-trifluoromethyl-Ph)-4H-pyrrolo(3,4-d)isoxazole-4,6-dione
- Molecular weight
- 0
Names & synonyms
3-(4-bromophenyl)-2-phenyl-5-[2-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dioneCBMicro_008411SMSF0010287STK951589AKOS001018543AKOS016318580CB11011BIM-0008390.P001UPCMLD0ENAT0502-0386:001ST50454160SR-01000429816SR-01000429816-1
Show more names
Z567726973-(4-BR-PH)-2-PH-5-(2-TRIFLUOROMETHYL-PH)-4H-PYRROLO(3,4-D)ISOXAZOLE-4,6-DIONE3-(4-bromophenyl)-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione3-(4-bromophenyl)-2-phenyl-5-[2-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione6-(4-bromophenyl)-5-phenyl-2-[2-(trifluoromethyl)phenyl]-2,4,5,6,3a,6a-hexahyd ro-4-oxa-2,5-diazapentalene-1,3-dione
Database identifiers
- CAS
342615-51-4- PubChem CID
- 2879006
- EC Number
- 141-896-4
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
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Compound notes
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