Ethyl (5-chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl)acetate
Basic information
- Standard SMILES
CCOC(=O)Cc1cc(Cl)c(Nc2nc3cc(F)ccc3s2)cc1F- InChIKey
KOOQDLXDDFGUGX-UHFFFAOYSA-N- Molecular formula
- C17H13ClF2N2O2S
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- Ethyl (5-chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl)acetate
- IUPAC
- ethyl 2-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]acetate
Names & synonyms
SCHEMBL14371937KOOQDLXDDFGUGX-UHFFFAOYSA-Nethyl (5-chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl)acetate
Database identifiers
- PubChem CID
- 58778765
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
4 records
Compound notes
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