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2-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(cyclopropylsulfonylamino)ethyl]-3-ethyl-2-oxopiperidin-3-yl]acetic acid

HCID 67998317
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC1(CC(=O)O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CNS(=O)(=O)C2CC2)C2CC2)C1=O
InChIKey
CKRGKEOKLKHYCW-UHFFFAOYSA-N
Molecular formula
C29H34Cl2N2O5S
Average molar mass
593.6 g/mol
Monoisotopic mass
592.1565488

Names & identifiers

Preferred name
2-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(cyclopropylsulfonylamino)ethyl]-3-ethyl-2-oxopiperidin-3-yl]acetic acid
IUPAC
2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-cyclopropyl-2-(cyclopropylsulfonylamino)ethyl]-3-ethyl-2-oxopiperidin-3-yl]acetic acid

Names & synonyms

SCHEMBL9990269

Database identifiers

PubChem CID
67998317

Properties

Computed structural properties

XLogP
5
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
39
Formal charge
0
Complexity
1,010

Related reactions

1 records
New reaction record
HRID 956210 reaction equation
HRID 956210As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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