1-Piperazineethanol, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2)
Basic information
- CAS
112446-54-5- Standard SMILES
CC(c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)N1CCN(CCO)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O- InChIKey
GYHSLNRVUNVYSU-SPIKMXEPSA-N- Molecular formula
- C28H31Cl3N2O9S
- Average molar mass
- 678 g/mol
- Monoisotopic mass
- 676.081585
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((Z)-but-2-enedioic acid);2-[4-[1-[5-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]ethyl]piperazin-1-yl]ethanol
Names & synonyms
1-Piperazineethanol, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-, (Z)-2-butenedioate (1:2)112446-54-5RefChem:10565344-(1-(5-Chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-1-piperazineethanol bismaleate
Database identifiers
- CAS
112446-54-5- PubChem CID
- 6450558
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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