Racemic 1-cyclohexyl-3-[3,5-dichloro-4'-(hexahydro-pyrrolo[1,2-a]pyrazine-2-carbonyl)-biphenyl-4-ylmethyl]-pyrrolidin-2-on

HCID 57741511
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Basic information

Standard SMILES
O=C(c1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1)N1CCN2CCCC2C1
InChIKey
FFCJYOPAPGHIFA-UHFFFAOYSA-N
Molecular formula
C31H37Cl2N3O2
Average molar mass
554.5 g/mol

Names & identifiers

Preferred name
Racemic 1-cyclohexyl-3-[3,5-dichloro-4'-(hexahydro-pyrrolo[1,2-a]pyrazine-2-carbonyl)-biphenyl-4-ylmethyl]-pyrrolidin-2-on
IUPAC
3-[[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)phenyl]-2,6-dichlorophenyl]methyl]-1-cyclohexylpyrrolidin-2-one

Names & synonyms

SCHEMBL208755FFCJYOPAPGHIFA-UHFFFAOYSA-Nracemic 1-cyclohexyl-3-[3,5-dichloro-4'-(hexahydro-pyrrolo[1,2-a]pyrazine-2-carbonyl)-biphenyl-4-ylmethyl]-pyrrolidin-2-on

Database identifiers

PubChem CID
57741511

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
38

Related reactions

1 records
New reaction record

Linked notes

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