3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Basic information
- CAS
6180-95-6- Standard SMILES
CCOc1cc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc(OCC)c1OCC- InChIKey
NXSRHDSKQCEXKC-UHFFFAOYSA-N- Molecular formula
- C23H24F3N3O4S2
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 527.11603309
Names & identifiers
- Preferred name
- 3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
- IUPAC
- 3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Names & synonyms
3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide3,4,5-triethoxy-N-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide392302-37-36180-95-6DTXSID60411138AKOS0245773573,4,5-triethoxy-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)benzamideF0417-1847
Database identifiers
- CAS
6180-95-6- PubChem CID
- 5222291
- DTXSID
DTXSID60411138
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 648
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Compound notes
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