Basic information
- Standard SMILES
[N-]=[N+]=N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1- InChIKey
ZVWOPDFUYBLCQT-SCZZXKLOSA-N- Molecular formula
- C13H12F3N5O2
- Average molar mass
- 327.26 g/mol
Names & identifiers
- Preferred name
- (6R,7aS)-6-Azido-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-one
- IUPAC
- (6R,7aS)-6-azido-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
Names & synonyms
SCHEMBL13720597ZVWOPDFUYBLCQT-SCZZXKLOSA-N(6R,7aS)-6-Azido-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-one
Database identifiers
- PubChem CID
- 70975874
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Related reactions
2 records
Compound notes
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