3-Azapapaverine
Basic information
- CAS
10089-99-3- Standard SMILES
COc1ccc(Cc2nncc3cc(OC)c(OC)cc23)cc1OC- InChIKey
DFTALMINTYGFOX-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- 3-Azapapaverine
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyphthalazine
Names & synonyms
3-Azapapaverine10089-99-3Phthalazine, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-DTXSID40143561Phthalazine, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-RefChem:93018DTXCID80660521-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyphthalazine
Database identifiers
- CAS
10089-99-3- PubChem CID
- 165809
- DTXSID
DTXSID40143561
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 411
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Related reactions
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Compound notes
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