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Basic information
- Standard SMILES
C=CCOc1cccc(C2(O)c3ccccc3C3=NCCCN32)c1- InChIKey
CAXMHLXZDZZJTG-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Names & identifiers
- Preferred name
- 9-(3-Allyloxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza-fluoren-9-ol; hydrochloride
- IUPAC
- 6-(3-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
Names & synonyms
CHEMBL555778NCI60_036039CHEMBL1196017BDBM501182789-(3-Allyloxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza-fluoren-9-ol; hydrochloride
Database identifiers
- PubChem CID
- 395632
- ChEMBL
CHEMBL1196017、CHEMBL555778
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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