Basic information
- Standard SMILES
CCOCc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)O)c(F)c3)CC2)nc1- InChIKey
FUFYTLGMCGBNDN-DENIHFKCSA-N- Molecular formula
- C25H32FN3O4
- Average molar mass
- 457.5 g/mol
Names & identifiers
- Preferred name
- (4-{2-[(1S,2R)-2-{1-[5-(ethoxymethyl)pyrimidin-2-yl]piperidin-4-yl}cyclopropyl]ethoxy}-2-fluorophenyl)acetic acid
- IUPAC
- 2-[4-[2-[(1S,2R)-2-[1-[5-(ethoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]acetic acid
Names & synonyms
SCHEMBL14968086FUFYTLGMCGBNDN-DENIHFKCSA-N(4-{2-[(1S,2R)-2-{1-[5-(ethoxymethyl)pyrimidin-2-yl]piperidin-4-yl}cyclopropyl]ethoxy}-2-fluorophenyl)acetic acid
Database identifiers
- PubChem CID
- 89582003
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 610
Related reactions
2 records
Compound notes
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