Basic information
- CAS
104690-91-7- Standard SMILES
COc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1.O=C(O)/C=C/C(=O)O- InChIKey
XATDEINGYGBGQZ-AVRNHWNZSA-N- Molecular formula
- C32H34F2N2O6
- Average molar mass
- 580.6 g/mol
- Monoisotopic mass
- 580.23849313
Names & identifiers
- Preferred name
- Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-(2,4-dimethoxyphenyl)-2-propenyl)-, (E)-2-butenedioate (1:1)
- IUPAC
- 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl]piperazine;(E)-but-2-enedioic acid
Names & synonyms
104690-91-7Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-(2,4-dimethoxyphenyl)-2-propenyl)-, (E)-2-butenedioate (1:1)RefChem:10959571-(Bis(4-fluorophenyl)methyl)-4-(2,4-dimethoxycinnamyl)piperazine fumarateSCHEMBL9809232
Database identifiers
- CAS
104690-91-7- PubChem CID
- 20163620
Properties
Computed structural properties
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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