Ethyl (3ar,6ar)-1-(4'-bromo-1,1'-biphenyl-4-yl)hexahydropyrrolo[3,4-b]pyrrole-5(1h)-carboxylate

HCID 67397057

Basic information

Standard SMILES
CCOC(=O)N1C[C@H]2CCN(c3ccc(-c4ccc(Br)cc4)cc3)[C@H]2C1
InChIKey
WIWZWQOKDXAIIF-XLIONFOSSA-N
Molecular formula
C21H23BrN2O2
Average molar mass
415.3 g/mol

Names & identifiers

Preferred name
Ethyl (3ar,6ar)-1-(4'-bromo-1,1'-biphenyl-4-yl)hexahydropyrrolo[3,4-b]pyrrole-5(1h)-carboxylate
IUPAC
ethyl (3aR,6aR)-1-[4-(4-bromophenyl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate

Names & synonyms

SCHEMBL2410805WIWZWQOKDXAIIF-XLIONFOSSA-Nethyl (3ar,6ar)-1-(4'-bromo-1,1'-biphenyl-4-yl)hexahydropyrrolo[3,4-b]pyrrole-5(1h)-carboxylateethyl(3ar,6ar)-1-(4'-bromo-1,1'-biphenyl-4-yl)hexahydropyrrolo[3,4-b]pyrrole-5(1h)-carboxylate

Database identifiers

PubChem CID
67397057

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

5 records

Linked notes

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