Basic information
- Standard SMILES
C=CCN1CCN(C(C#Cc2ccccc2)=Nc2ccc(OC)cc2)CC1- InChIKey
AXUUZXGHQYEYKB-UHFFFAOYSA-N- Molecular formula
- C23H25N3O
- Average molar mass
- 359.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-Allyl-1-piperazinyl)-3-(4-methoxyphenylimino)-1-phenyl-1-propyne
- IUPAC
- N-(4-methoxyphenyl)-3-phenyl-1-(4-prop-2-enylpiperazin-1-yl)prop-2-yn-1-imine
Names & synonyms
SCHEMBL10573417SCHEMBL10573420AXUUZXGHQYEYKB-UHFFFAOYSA-N3-(4-Allyl-1-piperazinyl)-3-(4-methoxyphenylimino)-1-phenyl-1-propyne
Database identifiers
- PubChem CID
- 13691002
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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