3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
Basic information
- CAS
5649-21-8- Standard SMILES
O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1cccc(Br)c1- InChIKey
ZUWFZUWFRBZXFU-MOSHPQCFSA-N- Molecular formula
- C15H10BrF3N2O2S
- Average molar mass
- 419.2 g/mol
- Monoisotopic mass
- 417.95985
Names & identifiers
- Preferred name
- 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
- IUPAC
- 3-bromo-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
Names & synonyms
5649-21-83-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazideAG-205/370230833-bromo-N'-[(2Z)-1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)butan-2-ylidene]benzohydrazide3-bromo-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamideDTXSID80416564STK756660AKOS001733190
Database identifiers
- CAS
5649-21-8- PubChem CID
- 5335752
- DTXSID
DTXSID80416564
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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