(2R)-4-[3-(2-fluoro-3-methoxyphenyl)isoxazol-5-yl]-2-methyl-2-(methylsulfonyl)-N-(tetrahydro-2H-pyran-2-yloxy)butanamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cccc(-c2cc(CC[C@](C)(C(=O)NOC3CCCCO3)S(C)(=O)=O)on2)c1F- InChIKey
KBCXHIQGRUWMCD-BDPMCISCSA-N- Molecular formula
- C21H27FN2O7S
- Average molar mass
- 470.5 g/mol
Names & identifiers
- Preferred name
- (2R)-4-[3-(2-fluoro-3-methoxyphenyl)isoxazol-5-yl]-2-methyl-2-(methylsulfonyl)-N-(tetrahydro-2H-pyran-2-yloxy)butanamide
- IUPAC
- (2R)-4-[3-(2-fluoro-3-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)butanamide
Names & synonyms
SCHEMBL15422602KBCXHIQGRUWMCD-BDPMCISCSA-N(2R)-4-[3-(2-fluoro-3-methoxyphenyl)isoxazol-5-yl]-2-methyl-2-(methylsulfonyl)-N-(tetrahydro-2H-pyran-2-yloxy)butanamide
Database identifiers
- PubChem CID
- 86709151
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 734
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…