Basic information
- Standard SMILES
O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1- InChIKey
FYPCOSCSSZKVCB-UHFFFAOYSA-N- Molecular formula
- C29H29Cl2N3O2
- Average molar mass
- 522.5 g/mol
Names & identifiers
- Preferred name
- 1-{2-[4-(2,6-Dichlorobenzyl)piperazin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
- IUPAC
- 1-[2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
Names & synonyms
SCHEMBL2306876CHEMBL1949947FYPCOSCSSZKVCB-UHFFFAOYSA-N1-{2-[4-(2,6-dichlorobenzyl)piperazin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
Database identifiers
- PubChem CID
- 45274308
- ChEMBL
CHEMBL1949947
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 732
Related reactions
2 records
Compound notes
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