Basic information
- Standard SMILES
CC(C)(C)ON=c1cc(-c2cc3cccn3cn2)oc2ccc(OCCCOc3ccc(F)cc3)cc12- InChIKey
ZJRWHPFPWZYTBE-UHFFFAOYSA-N- Molecular formula
- C29H28FN3O4
- Average molar mass
- 501.5 g/mol
Names & identifiers
- Preferred name
- 6-[3-(4-Fluoro-phenoxy)-propoxy]-2-pyrrolo[1,2-c]pyrimidin-3-yl-chromen-4-one O-tert-butyl-oxime
- IUPAC
- 6-[3-(4-fluorophenoxy)propoxy]-N-[(2-methylpropan-2-yl)oxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-imine
Names & synonyms
SCHEMBL13519146ZJRWHPFPWZYTBE-UHFFFAOYSA-N6-[3-(4-Fluoro-phenoxy)-propoxy]-2-pyrrolo[1,2-c]pyrimidin-3-yl-chromen-4-one O-tert-butyl-oxime
Database identifiers
- PubChem CID
- 89106956
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
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