Basic information
- Standard SMILES
CC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1- InChIKey
VHUIGSFJOMTCMJ-UHFFFAOYSA-N- Molecular formula
- C30H31Cl2N3O3S
- Average molar mass
- 584.6 g/mol
Names & identifiers
- Preferred name
- 4-Acetyl 1-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine
- IUPAC
- 1-[4-[3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]phenyl]piperazin-1-yl]ethanone
Names & synonyms
SCHEMBL6011709VHUIGSFJOMTCMJ-UHFFFAOYSA-N4-acetyl 1-[3({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine4-acetyl 1-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazine4-acetyl 1-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine
Database identifiers
- PubChem CID
- 69635708
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 932
Related reactions
3 records
Compound notes
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