Basic information
- Standard SMILES
CCOC(=O)Cc1cccc(Cc2nc3ccc(F)c(F)c3s2)c1- InChIKey
YYDDCZUIAONWNZ-UHFFFAOYSA-N- Molecular formula
- C18H15F2NO2S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.07915622
Names & identifiers
- Preferred name
- Ethyl 3-[(6,7-difluorobenzothiazol-2-yl)methyl]phenylacetate
- IUPAC
- ethyl 2-[3-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]phenyl]acetate
Names & synonyms
SCHEMBL8660040YYDDCZUIAONWNZ-UHFFFAOYSA-Nethyl 3-[(6,7-difluorobenzothiazol-2-yl)methyl]phenylacetate
Database identifiers
- PubChem CID
- 21463553
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
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