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
- Formal charge
- 0
- Complexity
- 372
Related reactions
3 records
Linked notes
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