Basic information
- CAS
112446-43-2- Standard SMILES
CC(c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1- InChIKey
CTMMBWNZQQRDPB-UHFFFAOYSA-N- Molecular formula
- C24H23Cl3N2S
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 476.064753
Names & identifiers
- Preferred name
- 1-[1-[5-Chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-phenylpiperazine
- IUPAC
- 1-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-phenylpiperazine
- English name
- 4-chloro-2-[1-(4-phenyl-1-piperazinyl)ethyl]phenyl 3,4-dichlorophenyl sulfide
- Molecular formula
- C24H23Cl3N2S
- Molecular weight
- 477.87682
Names & synonyms
4-chloro-2-[1-(4-phenyl-1-piperazinyl)ethyl]phenyl 3,4-dichlorophenyl sulfideAE-641/00601001AKOS0050659111-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]-4-phenylpiperazine
Database identifiers
- CAS
112446-43-2- PubChem CID
- 3086881
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 525
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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