Basic information
- CAS
6111-17-7- Standard SMILES
O=C1C2ON(c3ccccc3)C(c3ccc(C(F)(F)F)cc3)C2C(=O)N1c1ccc(F)cc1- InChIKey
HTJTWHGBPTWKES-UHFFFAOYSA-N- Molecular formula
- C24H16F4N2O3
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.10970502
Names & identifiers
- Preferred name
- 5-(4-fluorophenyl)-2-phenyl-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
- IUPAC
- 5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Names & synonyms
6111-17-75-(4-fluorophenyl)-2-phenyl-3-(4-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione473445-12-43-(4-fluorophenyl)-7-phenyl-6-[4-(trifluoromethyl)phenyl]-8-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dioneDTXSID60387309STL020245AKOS000540209AKOS016318528EU-0075592
Show more names
ST50454484SR-01000467355SR-01000467355-1F1065-05582-(4-fluorophenyl)-5-phenyl-6-[4-(trifluoromethyl)phenyl]-2,4,5,6,3a,6a-hexahy dro-4-oxa-2,5-diazapentalene-1,3-dione5-(4-fluorophenyl)-2-phenyl-3-[4-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 740
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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