4-[3-({1-[Bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine-1-carboxylic acid methyl ester

HCID 69635596

Basic information

Standard SMILES
COC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1
InChIKey
OQYWDHNDTSCDGZ-UHFFFAOYSA-N
Molecular formula
C30H31Cl2N3O4S
Average molar mass
600.6 g/mol

Names & identifiers

Preferred name
4-[3-({1-[Bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine-1-carboxylic acid methyl ester
IUPAC
methyl 4-[3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]phenyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL6011378OQYWDHNDTSCDGZ-UHFFFAOYSA-N4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazine-1-carboxylic acid methyl ester4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine-1-carboxylic acid methyl ester

Database identifiers

PubChem CID
69635596

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
78.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
40

Related reactions

3 records

Compound notes

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