Basic information
- Standard SMILES
C[C@H](Oc1cc(C(=O)NC(C(=O)OC(C)(C)C)C(C)(C)C)ncc1C1CC1)C(F)(F)F- InChIKey
BVQZPQYHWJPZBB-WHUIICBVSA-N- Molecular formula
- C22H31F3N2O4
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.22359196
Names & identifiers
- Preferred name
- tert-butyl 2-[[5-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-methyl-ethoxy]pyridine-2-carbonyl]amino]-3,3-dimethyl-butanoate
- IUPAC
- tert-butyl 2-[[5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
Names & synonyms
tert-butyl 2-[[5-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-methyl-ethoxy]pyridine-2-carbonyl]amino]-3,3-dimethyl-butanoateSCHEMBL15790177
Database identifiers
- PubChem CID
- 90214929
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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