N-benzothiazol-2-yl-N-[4-(difluoromethylsulfanyl)phenyl]-4-dimethylamino-benzamide
Basic information
- CAS
5560-35-0- Standard SMILES
CN(C)c1ccc(C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)cc1- InChIKey
XBFYPYJTVWZRRL-UHFFFAOYSA-N- Molecular formula
- C23H19F2N3OS2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.09376091
Names & identifiers
- Preferred name
- N-benzothiazol-2-yl-N-[4-(difluoromethylsulfanyl)phenyl]-4-dimethylamino-benzamide
- IUPAC
- N-(1,3-benzothiazol-2-yl)-N-[4-(difluoromethylsulfanyl)phenyl]-4-(dimethylamino)benzamide
Names & synonyms
5560-35-0N-benzothiazol-2-yl-N-[4-(difluoromethylsulfanyl)phenyl]-4-dimethylamino-benzamideDTXSID50366527N-(1,3-BENZOTHIAZOL-2-YL)-N-{4-[(DIFLUOROMETHYL)SULFANYL]PHENYL}-4-(DIMETHYLAMINO)BENZAMIDE
Database identifiers
- CAS
5560-35-0- PubChem CID
- 2101482
- DTXSID
DTXSID50366527
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 595
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Compound notes
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