Piperazine, 1-(2-chlorobenzoyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2)
Basic information
- CAS
65274-64-8- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(c1ccccc1Cl)N1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1- InChIKey
STZLNHZUGWKMLJ-LVEZLNDCSA-N- Molecular formula
- C32H36ClF3N4O9
- Average molar mass
- 713.1 g/mol
- Monoisotopic mass
- 712.2122909
Names & identifiers
- Preferred name
- Piperazine, 1-(2-chlorobenzoyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);(2-chlorophenyl)-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone
Names & synonyms
65274-64-8Piperazine, 1-(2-chlorobenzoyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2)RefChem:1095790
Database identifiers
- CAS
65274-64-8- PubChem CID
- 6446744
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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