Basic information
- Standard SMILES
COC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1- InChIKey
XNWNFMFFCLUSOI-UHFFFAOYSA-N- Molecular formula
- C17H12F3NO2S
- Average molar mass
- 351.3 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]phenylacetate
- IUPAC
- methyl 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]phenyl]acetate
Names & synonyms
SCHEMBL8662221XNWNFMFFCLUSOI-UHFFFAOYSA-Nmethyl 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]phenylacetate
Database identifiers
- PubChem CID
- 21463559
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
3 records
Compound notes
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