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Basic information
- Standard SMILES
C=CCOc1ccccc1C1(O)c2ccccc2C2=NCCCN21.Cl- InChIKey
RZDQRFCKZZLYSR-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O2
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.1291556
Names & identifiers
- Preferred name
- 6-(2-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol;hydrochloride
- IUPAC
- 6-(2-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol;hydrochloride
Names & synonyms
NSC700416CHEMBL1979631NSC-700416
Database identifiers
- PubChem CID
- 395633
- ChEMBL
CHEMBL1979631
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
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Compound notes
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