Basic information
- Standard SMILES
Cc1noc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12- InChIKey
GOTUUOPBTVKVDJ-UHFFFAOYSA-N- Molecular formula
- C14H9F4N3O3
- Average molar mass
- 343.23 g/mol
- Monoisotopic mass
- 343.05800381
Names & identifiers
- Preferred name
- 3-(6-Fluoro-3-methyl-1,2-benzisoxazol-5-yl)-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 3-(6-fluoro-3-methyl-1,2-benzoxazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
Names & synonyms
3-(6-Fluoro-3-methyl-1,2-benzisoxazol-5-yl)-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL7458404
Database identifiers
- PubChem CID
- 15906557
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 594
Related reactions
1 records
Compound notes
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