Basic information
- CAS
548438-79-5- Standard SMILES
COc1ccc(C=CC(=O)N2CC(C)N(C(=O)C=Cc3ccc(OC)c(OC)c3)CC2C)cc1OC- InChIKey
QFTXXUDPZBDPFI-UHFFFAOYSA-N- Molecular formula
- C28H34N2O6
- Average molar mass
- 494.6 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
- IUPAC
- 3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
- English name
- 1,4-bis[3-(3,4-dimethoxyphenyl)acryloyl]-2,5-dimethylpiperazine
- Molecular formula
- C28H34N2O6
- Molecular weight
- 494.58
Names & synonyms
1,4-bis[3-(3,4-dimethoxyphenyl)acryloyl]-2,5-dimethylpiperazine
Database identifiers
- CAS
548438-79-5
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Boiling point
- 721.826 · 721.826±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.579 · -0.579±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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