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
- Formal charge
- 0
- Complexity
- 951
Related reactions
3 records
Compound notes
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