Basic information
- CAS
112446-50-1- Standard SMILES
CC(c1cc(Cl)ccc1Sc1ccc(Cl)cc1)N1CCN(C)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
QQNGYAYCJJCTTN-LVEZLNDCSA-N- Molecular formula
- C27H30Cl2N2O8S
- Average molar mass
- 613.5 g/mol
- Monoisotopic mass
- 612.1099925
Names & identifiers
- Preferred name
- Piperazine, 4-(1-(5-chloro-2-((4-chlorophenyl)thio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);1-[1-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-methylpiperazine
Names & synonyms
112446-50-1Piperazine, 4-(1-(5-chloro-2-((4-chlorophenyl)thio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate (1:2)RefChem:10960574-(1-(5-Chloro-2-((4-chlorophenyl)thio)phenyl)ethyl)-1-methylpiperazine bismaleate
Database identifiers
- CAS
112446-50-1- PubChem CID
- 6450554
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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