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
- Formal charge
- 0
- Complexity
- 486
Related reactions
5 records
Linked notes
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