Basic information
- CAS
883799-32-4- Standard SMILES
C=CCSc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2SCC=C)CC1- InChIKey
MZMMSUVDHZDIJN-UHFFFAOYSA-N- Molecular formula
- C24H24Cl2N2O2S2
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 506.0656257
Names & identifiers
- Preferred name
- (4-(2-Allylsulfanyl-4-CL-BZ)-piperazin-1-YL)-(2-allylsulfanyl-5-CL-PH)-methanone
- IUPAC
- [4-(5-chloro-2-prop-2-enylsulfanylbenzoyl)piperazin-1-yl]-(4-chloro-2-prop-2-enylsulfanylphenyl)methanone
Names & synonyms
AKOS024420427(4-(2-ALLYLSULFANYL-4-CL-BZ)-PIPERAZIN-1-YL)-(2-ALLYLSULFANYL-5-CL-PH)-METHANONE
Database identifiers
- CAS
883799-32-4- PubChem CID
- 4458664
- EC Number
- 149-677-5
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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