n-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-3,4-difluorobenzamide
Basic information
- CAS
5653-72-5- Standard SMILES
Cc1cc(C)c2nc(NC(=O)c3ccc(F)c(F)c3)sc2c1- InChIKey
GHVULIHIMVRBEB-UHFFFAOYSA-N- Molecular formula
- C16H12F2N2OS
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.06384051
Names & identifiers
- Preferred name
- n-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-3,4-difluorobenzamide
- IUPAC
- N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,4-difluorobenzamide
Names & synonyms
5653-72-5n-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,4-difluorobenzamideCBMicro_027027DTXSID90971972CCG-329129N-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-3,4-difluorobenzene-1-carboximidic acidBIM-0027048.P001
Database identifiers
- CAS
5653-72-5- PubChem CID
- 873091
- DTXSID
DTXSID90971972
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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