Ethyl(3aR,6aR)-1-[4-(6-oxopyridazin-1(6H)-yl)-1,1'-biphenyl-4-yl]hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

HCID 131728147
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Basic information

Standard SMILES
CCOC(=O)N1C[C@H]2CCN(C3(n4ncccc4=O)C=CC(c4ccccc4)=CC3)[C@H]2C1
InChIKey
ZWBKTYZWCJACRM-RTIVMORXSA-N
Molecular formula
C25H28N4O3
Average molar mass
432.5 g/mol

Names & identifiers

Preferred name
Ethyl(3aR,6aR)-1-[4-(6-oxopyridazin-1(6H)-yl)-1,1'-biphenyl-4-yl]hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
IUPAC
ethyl (3aR,6aR)-1-[1-(6-oxopyridazin-1-yl)-4-phenylcyclohexa-2,4-dien-1-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylate

Names & synonyms

ZWBKTYZWCJACRM-RTIVMORXSA-NEthyl(3aR,6aR)-1-[4-(6-oxopyridazin-1(6H)-yl)-1,1'-biphenyl-4-yl]hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

Database identifiers

PubChem CID
131728147

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
65.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32

Related reactions

1 records
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Linked notes

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