Basic information
- Standard SMILES
CN1CCN(NC(=O)c2ccccc2C(=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)CC1- InChIKey
FZRWDXILLHMJNA-UHFFFAOYSA-N- Molecular formula
- C30H32Cl2N4O3S
- Average molar mass
- 599.6 g/mol
Names & identifiers
- Preferred name
- 1-[bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[(N-4-methylpiperazinylcarbamoyl)phenyl]methylene}azetidine
- IUPAC
- 2-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]-methylsulfonylmethyl]-N-(4-methylpiperazin-1-yl)benzamide
Names & synonyms
SCHEMBL6494658FZRWDXILLHMJNA-UHFFFAOYSA-N1-[bis(4-chloro-phenyl)methyl]-3-{(methylsulfonyl)[(N-4-methylpiperazinylcarbamoyl)phenyl]methylene}azetidine1-[bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[(N-4-methylpiperazinylcarbamoyl)phenyl]methylene}azetidine
Database identifiers
- PubChem CID
- 22565313
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 980
Related reactions
2 records
Compound notes
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