Basic information
- Standard SMILES
COc1cc(-c2ccc(C(C)C(O)(c3cc(F)c4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)ccc1F- InChIKey
DEBVIRRYJZISAI-UHFFFAOYSA-N- Molecular formula
- C26H21ClF5NO4
- Average molar mass
- 541.9 g/mol
- Monoisotopic mass
- 541.1079267
Names & identifiers
- Preferred name
- 6-[2-(3-Chloro-4'-fluoro-3'-methoxy-biphenyl-4-yl)-1-hydroxy-1-trifluoromethyl-propyl]-8-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-one
- IUPAC
- 6-[3-[2-chloro-4-(4-fluoro-3-methoxyphenyl)phenyl]-1,1,1-trifluoro-2-hydroxybutan-2-yl]-8-fluoro-4-methyl-1,4-benzoxazin-3-one
Names & synonyms
6-[2-(3-Chloro-4'-fluoro-3'-methoxy-biphenyl-4-yl)-1-hydroxy-1-trifluoromethyl-propyl]-8-fluoro-4-methyl-4H-benzo[1,4]oxazin-3-oneSCHEMBL473856
Database identifiers
- PubChem CID
- 86645869
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 820
Related reactions
5 records
Compound notes
Loading…