(R)-N-(3-(3-Amino-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-5-yl)-4-fluorophenyl)-5-(fluoromethoxy)picolinamide formate
Basic information
- Standard SMILES
C[C@]1(c2cc(NC(=O)c3ccc(OCF)cn3)ccc2F)N=C(N)COCC1(F)F.O=CO- InChIKey
CTKGUWQDQPUQIY-GMUIIQOCSA-N- Molecular formula
- C20H20F4N4O5
- Average molar mass
- 472.4 g/mol
Names & identifiers
- Preferred name
- (R)-N-(3-(3-Amino-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-5-yl)-4-fluorophenyl)-5-(fluoromethoxy)picolinamide formate
- IUPAC
- N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide;formic acid
Names & synonyms
(R)-N-(3-(3-Amino-6,6-difluoro-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-5-yl)-4-fluorophenyl)-5-(fluoromethoxy)picolinamide formateSCHEMBL2594503
Database identifiers
- PubChem CID
- 54578014
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 664
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Related reactions
1 records
Compound notes
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