Basic information
- Standard SMILES
COC(=O)C(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C- InChIKey
GXHCAONCNNNCRD-UHFFFAOYSA-N- Molecular formula
- C20H27F2N3O4
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.19696268
Names & identifiers
- Preferred name
- Methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
- IUPAC
- methyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
Names & synonyms
SCHEMBL14152589GXHCAONCNNNCRD-UHFFFAOYSA-NMethyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
Database identifiers
- PubChem CID
- 71087807
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 613
Related reactions
2 records
Compound notes
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