6-(2-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
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Basic information
- Standard SMILES
C=CCOc1ccccc1C1(O)c2ccccc2C2=NCCCN21- InChIKey
NMJCLQMEYPVRFV-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Names & identifiers
- Preferred name
- 6-(2-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
- IUPAC
- 6-(2-prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
Names & synonyms
NCI60_036040CHEMBL2010541
Database identifiers
- PubChem CID
- 395634
- ChEMBL
CHEMBL2010541
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
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