Basic information
- Standard SMILES
O=C(OC1CC2CCC1C2)c1cnc(O[C@@H]2C[C@H]3CC[C@@H]2C3)nc1C(F)(F)F- InChIKey
CGLGFVCZBFBSSM-BFWGIITKSA-N- Molecular formula
- C20H23F3N2O3
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- rac-(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yloxy]-4-(trifluoromethyl)pyrimidine-5-carboxylate
- IUPAC
- 2-bicyclo[2.2.1]heptanyl 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-(trifluoromethyl)pyrimidine-5-carboxylate
Names & synonyms
rac-(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl2-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yloxy]-4-(trifluoromethyl)pyrimidine-5-carboxylateSCHEMBL541706
Database identifiers
- PubChem CID
- 66720285
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 616
Related reactions
2 records
Compound notes
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