N-{[6-bromo-1-(4-methoxybenzyl)-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}-4-fluorobenzamide
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Basic information
- Standard SMILES
COc1ccc(CN2C(=O)OC(CNC(=O)c3ccc(F)cc3)(C(F)(F)F)c3cc(Br)ccc32)cc1- InChIKey
LNPGAWLEMRYZLS-UHFFFAOYSA-N- Molecular formula
- C25H19BrF4N2O4
- Average molar mass
- 567.3 g/mol
- Monoisotopic mass
- 566.04643
Names & identifiers
- Preferred name
- N-{[6-bromo-1-(4-methoxybenzyl)-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}-4-fluorobenzamide
- IUPAC
- N-[[6-bromo-1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethyl)-3,1-benzoxazin-4-yl]methyl]-4-fluorobenzamide
Names & synonyms
N-{[6-bromo-1-(4-methoxybenzyl)-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}-4-fluorobenzamideSCHEMBL3043238
Database identifiers
- PubChem CID
- 44549804
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 787
Related reactions
10 records
Compound notes
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