Basic information
- CAS
6171-08-0- Standard SMILES
CC(=NNC(=O)Cn1nc(C)c(Br)c1C)c1ccc(OCc2ccccc2F)cc1- InChIKey
JCBQGQGXXALKRJ-UHFFFAOYSA-N- Molecular formula
- C22H22BrFN4O2
- Average molar mass
- 473.3 g/mol
- Monoisotopic mass
- 472.09102
Names & identifiers
- Preferred name
- 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]acetamide
- IUPAC
- 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]acetamide
- English name
- N-Ethyl-N'-(methylsulfonyl)thiourea
- Molecular formula
- C4H10N2O2S2
- Molecular weight
- 182.26
Names & synonyms
6171-08-02-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]acetamideDTXSID404111712-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N'-(1-{4-[(2-fluorophenyl)methoxy]phenyl}ethylidene)acetohydrazide1-Ethyl-3-(methylsulfonyl)thioureaN-Ethyl-N'-(methylsulfonyl)thioureaMethanesulfonamide, N-[(ethylamino)thioxomethyl]-
Database identifiers
- CAS
6171-08-0- PubChem CID
- 5222803
- DTXSID
DTXSID40411171
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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