Basic information
- Standard SMILES
NC(=O)c1nn2c(c1C(F)(F)F)C(F)COc1ccc(Br)cc1-2- InChIKey
CSOADERACGMFLM-UHFFFAOYSA-N- Molecular formula
- C13H8BrF4N3O2
- Average molar mass
- 394.12 g/mol
Names & identifiers
- Preferred name
- Racemic 9-bromo-4-fluoro-3-(trifluoromethyl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-2-carboxamide
- IUPAC
- 9-bromo-4-fluoro-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,1-d][1,5]benzoxazepine-2-carboxamide
Names & synonyms
racemic 9-bromo-4-fluoro-3-(trifluoromethyl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-2-carboxamideSCHEMBL15192996
Database identifiers
- PubChem CID
- 89754787
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
1 records
Compound notes
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