(6S,7aS)-6-Bromo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-one

HCID 86673574
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Basic information

Standard SMILES
O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](Br)CN12
InChIKey
QZRUHAJGLDGCOV-WPRPVWTQSA-N
Molecular formula
C13H12BrF3N2O2
Average molar mass
365.15 g/mol
Monoisotopic mass
364.00342

Names & identifiers

Preferred name
(6S,7aS)-6-Bromo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-one
IUPAC
(6S,7aS)-6-bromo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

Names & synonyms

(6S,7aS)-6-Bromo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-oneSCHEMBL13720746

Database identifiers

PubChem CID
86673574

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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