2,3-Difluoro-4-[5-(6-octyloxypyridin-3-yl)pyrimidin-2-yl]phenyl heptanoate
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Basic information
- Standard SMILES
CCCCCCCCOc1ccc(-c2cnc(-c3ccc(OC(=O)CCCCCC)c(F)c3F)nc2)cn1- InChIKey
AUZMHVSFJJNLDZ-UHFFFAOYSA-N- Molecular formula
- C30H37F2N3O3
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.28029837
Names & identifiers
- Preferred name
- 2,3-Difluoro-4-[5-(6-octyloxypyridin-3-yl)pyrimidin-2-yl]phenyl heptanoate
- IUPAC
- [2,3-difluoro-4-[5-(6-octoxy-3-pyridinyl)pyrimidin-2-yl]phenyl] heptanoate
Names & synonyms
SCHEMBL8177208AUZMHVSFJJNLDZ-UHFFFAOYSA-N2,3-difluoro-4-[5-(6-octyloxypyridin-3-yl)pyrimidin-2-yl]phenyl heptanoate
Database identifiers
- PubChem CID
- 53663567
Properties
Computed structural propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 650
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Related reactions
1 records
Compound notes
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