Basic information
- Standard SMILES
COC(=O)Cc1ccc2nc(Nc3c(C)cccc3Cl)oc2c1F- InChIKey
ZEPGNYHZLXLZAX-UHFFFAOYSA-N- Molecular formula
- C17H14ClFN2O3
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0676982
Names & identifiers
- Preferred name
- Methyl (2-(2-chloro-6-methylphenylamino)-7-fluoro-6-benzoxazolyl)acetate
- IUPAC
- methyl 2-[2-(2-chloro-6-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]acetate
Names & synonyms
SCHEMBL14592204ZEPGNYHZLXLZAX-UHFFFAOYSA-Nmethyl (2-(2-chloro-6-methylphenylamino)-7-fluoro-6-benzoxazolyl)acetate
Database identifiers
- PubChem CID
- 58778824
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
3 records
Compound notes
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