Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
Basic information
- CAS
91480-77-2- Standard SMILES
CCCCOC(=O)C=CC(=O)N1CCN(C(=O)C=CC(=O)OCCCC)C(C)C1- InChIKey
UUBOPQDETFLWIY-UHFFFAOYSA-N- Molecular formula
- C21H32N2O6
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.22603674
Names & identifiers
- Preferred name
- Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
- IUPAC
- butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
Names & synonyms
91480-77-2butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoateDTXSID10319352Dibutyl 4,4'-(2-methylpiperazine-1,4-diyl)bis(4-oxobut-2-enoate)
Database identifiers
- CAS
91480-77-2- PubChem CID
- 335322
- DTXSID
DTXSID10319352
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 629
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Compound notes
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