Basic information
- Standard SMILES
C[C@H]1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1nc(Cl)ccc1Br- InChIKey
FJFTVSUTTQZLKS-VFZGTOFNSA-N- Molecular formula
- C19H14BrClF6N2O2
- Average molar mass
- 531.7 g/mol
- Monoisotopic mass
- 529.98314
Names & identifiers
- Preferred name
- (4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-bromo-6-chloropyridin-2-yl)methyl]-4-methyl-1,3-oxazinan-2-one
- IUPAC
- (4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-bromo-6-chloro-2-pyridinyl)methyl]-4-methyl-1,3-oxazinan-2-one
Names & synonyms
(4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-bromo-6-chloropyridin-2-yl)methyl]-4-methyl-1,3-oxazinan-2-oneSCHEMBL4314390
Database identifiers
- PubChem CID
- 57544404
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 630
Related reactions
3 records
Compound notes
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