4-Fluoro-N-{[2-oxo-6-(1H-1,2,4-triazol-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide
Basic information
- Standard SMILES
O=C1Nc2ccc(-n3cncn3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1- InChIKey
WOAVNQWAOKKNOV-UHFFFAOYSA-N- Molecular formula
- C19H13F4N5O3
- Average molar mass
- 435.3 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro-N-{[2-oxo-6-(1H-1,2,4-triazol-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide
- IUPAC
- 4-fluoro-N-[[2-oxo-6-(1,2,4-triazol-1-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide
Names & synonyms
CHEMBL5687284-Fluoro-N-{[2-oxo-6-(1H-1,2,4-triazol-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamideSCHEMBL3041291BDBM50299967
Database identifiers
- PubChem CID
- 44550375
- ChEMBL
CHEMBL568728
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 688
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Related reactions
1 records
Compound notes
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