N-[(6R,7aS)-3-Oxo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-6-yl]-C-phenyl-methanesulfonamide

HCID 70976015

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)Cc3ccccc3)CN12
InChIKey: DNOYGOXMEVBJIC-WBVHZDCISA-N
Molecular formula: C20H20F3N3O4S
Average molar mass: 455.5 g/mol
Monoisotopic mass: 455.11266179

Names & identifiers

Preferred name: N-[(6R,7aS)-3-Oxo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-6-yl]-C-phenyl-methanesulfonamide
IUPAC: N-[(6R,7aS)-3-oxo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-6-yl]-1-phenylmethanesulfonamide

Names & synonyms

N-[(6R,7aS)-3-Oxo-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-6-yl]-C-phenyl-methanesulfonamideCHEMBL3674447SCHEMBL13720915BDBM98699US8497288, 28

Database identifiers

PubChem CID: 70976015
ChEMBL: CHEMBL3674447

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 87.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 31
Formal charge: 0
Complexity: 744

Related reactions

1 records

New reaction record

HRID 455264As productuspto-grants-2013_07

Compound notes

Loading…