Basic information
- CAS
104690-93-9- Standard SMILES
COc1ccc(/C=C/CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1.O=C(O)/C=C/C(=O)O- InChIKey
YQSOIGHEUYMEFI-MWWUGWBXSA-N- Molecular formula
- C32H36N2O6
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.25733687
Names & identifiers
- Preferred name
- Piperazine, 1-(3-(2,4-dimethoxyphenyl)-2-propenyl)-4-(diphenylmethyl)-, (E)-2-butenedioate (1:1)
- IUPAC
- 1-benzhydryl-4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl]piperazine;(E)-but-2-enedioic acid
Names & synonyms
104690-93-9Piperazine, 1-(3-(2,4-dimethoxyphenyl)-2-propenyl)-4-(diphenylmethyl)-, (E)-2-butenedioate (1:1)RefChem:10958251-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarateSCHEMBL9809227
Database identifiers
- CAS
104690-93-9- PubChem CID
- 20163616
Properties
Computed structural properties
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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