Basic information
- Standard SMILES
COc1cc(C(=O)N2CCN(C(=O)/C=C(\c3ccccc3)c3ccncc3)CC2)cc(OC)c1OC- InChIKey
YHZDPHBPJIOECM-FCDQGJHFSA-N- Molecular formula
- C28H29N3O5
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.21072103
Names & identifiers
- Preferred name
- 1-[(E)-3-Phenyl-3-(4-pyridyl)acryloyl]-4-(3,4,5-trimethoxybenzoyl)piperazine
- IUPAC
- (E)-3-phenyl-3-pyridin-4-yl-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
Names & synonyms
SCHEMBL8937755YHZDPHBPJIOECM-FCDQGJHFSA-N1-[(E)-3-Phenyl-3-(4-pyridyl)acryloyl]-4-(3,4,5-trimethoxybenzoyl)piperazine
Database identifiers
- PubChem CID
- 15230540
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 740
Related reactions
4 records
Compound notes
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