Basic information
- Standard SMILES
O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1Cl- InChIKey
BCNYKJDRQYVJHM-OCCSQVGLSA-N- Molecular formula
- C20H17ClF3N3O3
- Average molar mass
- 439.8 g/mol
- Monoisotopic mass
- 439.0910536
Names & identifiers
- Preferred name
- 2-Chloro-N-[(6R,7aS)-3-oxo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-6-yl]-benzamide
- IUPAC
- N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-2-chlorobenzamide
Names & synonyms
2-Chloro-N-[(6R,7aS)-3-oxo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-6-yl]-benzamideCHEMBL3674439SCHEMBL13721327BDBM98691US8497288, 11
Database identifiers
- PubChem CID
- 70976201
- ChEMBL
CHEMBL3674439
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 657
Related reactions
1 records
Compound notes
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