4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazine-1-carboxylic acid N-methylamide

HCID 69635622

Basic information

Standard SMILES
CNC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1
InChIKey
OQODAQPQMPMKFB-UHFFFAOYSA-N
Molecular formula
C30H32Cl2N4O3S
Average molar mass
599.6 g/mol

Names & identifiers

Preferred name
4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazine-1-carboxylic acid N-methylamide
IUPAC
4-[3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]phenyl]-N-methylpiperazine-1-carboxamide

Names & synonyms

SCHEMBL6011475OQODAQPQMPMKFB-UHFFFAOYSA-N4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazine-1-carboxylic acid N-methylamide4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine-1-carboxylic acid N-methylamide

Database identifiers

PubChem CID
69635622

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
81.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
40

Related reactions

3 records

Compound notes

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