N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide

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Basic information

CAS: 401637-16-9
Standard SMILES: CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=NC(=O)c2ccccc2)s1
InChIKey: RANXZMVJRPAJCK-UHFFFAOYSA-N
Molecular formula: C18H12F3N3O2S
Average molar mass: 391.4 g/mol
Monoisotopic mass: 391.06023229

Names & identifiers

Preferred name: N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide
IUPAC: N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide

Names & synonyms

401637-16-9N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamideDTXSID80404143AKOS024286818ST096797N-[(2Z)-5-Acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide5-acetyl-2-(2-oxo-2-phenyl-1-azaethylidene)-3-[3-(trifluoromethyl)phenyl]-1,3, 4-thiadiazoline

Database identifiers

CAS: 401637-16-9
PubChem CID: 4549047
DTXSID: DTXSID80404143

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 657

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