4-[3',5'-Dichloro-4'-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-biphenyl-4-carbonyl]-1-methyl-piperazin-2-one

HCID 57741571
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Basic information

Standard SMILES
CN1CCN(C(=O)c2ccc(-c3cc(Cl)c(CC4CCN(C5CCCCC5)C4=O)c(Cl)c3)cc2)CC1=O
InChIKey
KDRHBFADJLSPFS-UHFFFAOYSA-N
Molecular formula
C29H33Cl2N3O3
Average molar mass
542.5 g/mol

Names & identifiers

Preferred name
4-[3',5'-Dichloro-4'-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-biphenyl-4-carbonyl]-1-methyl-piperazin-2-one
IUPAC
4-[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]-1-methylpiperazin-2-one

Names & synonyms

SCHEMBL209389KDRHBFADJLSPFS-UHFFFAOYSA-N4-[3',5'-dichloro-4'-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-biphenyl-4-carbonyl]-1-methyl-piperazin-2-one

Database identifiers

PubChem CID
57741571

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
60.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
37

Related reactions

1 records
New reaction record

Linked notes

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4-[3',5'-Dichloro-4'-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-biphenyl-4-carbonyl]-1-methyl-piperazin-2-one (HCID 57741571)｜Huagongshe