Basic information
- Standard SMILES
N#Cc1c(Oc2cccc(NC(=O)C(F)(F)F)c2)ccc2nc(NC(=O)C3CC3)sc12- InChIKey
NUMCDJHKUXOBHV-UHFFFAOYSA-N- Molecular formula
- C20H13F3N4O3S
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.06604595
Names & identifiers
- Preferred name
- N-(7-cyano-6-{3-[(trifluoroacetyl)amino]phenoxy}-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
- IUPAC
- N-[7-cyano-6-[3-[(2,2,2-trifluoroacetyl)amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Names & synonyms
N-(7-cyano-6-{3-[(trifluoroacetyl)amino]phenoxy}-1,3-benzothiazol-2-yl)cyclopropanecarboxamideSCHEMBL825835
Database identifiers
- PubChem CID
- 86644684
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 754
Related reactions
6 records
Compound notes
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