Basic information
- Standard SMILES
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3Br)C(F)(F)F)cc12- InChIKey
PXUAYHLRPKYRRN-UHFFFAOYSA-N- Molecular formula
- C22H19BrF4N2O4
- Average molar mass
- 531.3 g/mol
Names & identifiers
- Preferred name
- 6-[4-(2-Bromo-5-fluorophenyl)-2-hydroxy-4-methyl-2-trifluoromethylvaleroylamino]-4-methyl-2,3-benzoxazin-1-one
- IUPAC
- 4-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
Names & synonyms
6-[4-(2-Bromo-5-fluorophenyl)-2-hydroxy-4-methyl-2-trifluoromethylvaleroylamino]-4-methyl-2,3-benzoxazin-1-oneSCHEMBL5643233
Database identifiers
- PubChem CID
- 21908306
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 806
Related reactions
4 records
Compound notes
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