4-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-4-[3-(tetrahydro-pyran-2-yloxy)-propyl]-pyrrolidin-2-one

HCID 53744679

Notes Reactions

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Basic information

Standard SMILES: COc1cc(C(=O)N2CC(CCCOC3CCCCO3)(c3ccc(Cl)c(Cl)c3)CC2=O)cc(OC)c1OC
InChIKey: CXAJQKUXRGZGBR-UHFFFAOYSA-N
Molecular formula: C28H33Cl2NO7
Average molar mass: 566.5 g/mol

Names & identifiers

Preferred name: 4-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-4-[3-(tetrahydro-pyran-2-yloxy)-propyl]-pyrrolidin-2-one
IUPAC: 4-(3,4-dichlorophenyl)-4-[3-(oxan-2-yloxy)propyl]-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-2-one

Names & synonyms

SCHEMBL8349973CXAJQKUXRGZGBR-UHFFFAOYSA-N4-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-4-[3-(tetrahydro-pyran-2-yloxy)-propyl]-pyrrolidin-2-one4-(3,4-dichloro-phenyl)-4-[3-(tetrahydro-pyran-2-yloxy)-propyl]-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-2-one

Database identifiers

PubChem CID: 53744679

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 38
Formal charge: 0
Complexity: 789

Related reactions

4 records

New reaction record

HRID 283569As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1213371As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1683102As productuspto-grants-1997_06

HRID 1683103As reactantuspto-grants-1997_06

Compound notes

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