(3aR,6aR)-1-(4'-bromo-biphenyl-4-yl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole

HCID 44221914

Basic information

Standard SMILES
CN1C[C@H]2CCN(c3ccc(-c4ccc(Br)cc4)cc3)[C@H]2C1
InChIKey
CORVHUIUUFFPND-APWZRJJASA-N
Molecular formula
C19H21BrN2
Average molar mass
357.3 g/mol

Names & identifiers

Preferred name
(3aR,6aR)-1-(4'-bromo-biphenyl-4-yl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole
IUPAC
(3aR,6aR)-1-[4-(4-bromophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

Names & synonyms

CHEMBL558085SCHEMBL2412379CORVHUIUUFFPND-APWZRJJASA-NBDBM50294088(3aR,6aR)-1-(4''-Bromo-biphenyl-4-yl)-5-methyl-octahydropyrrolo[3,4-b]pyrrole(3aR,6aR)-1-(4'-bromo-biphenyl-4-yl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole

Database identifiers

PubChem CID
44221914
ChEMBL
CHEMBL558085

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
6.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
22

Related reactions

3 records

Linked notes

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